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Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18N2O3S
Molecular Weight	366.434
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C(NCC1=CC2=C(OCO2)C=C1)[C@H]3CC4=C(CN3)SC5=C4C=CC=C5

InChI

InChIKey=LJJLQEVGMKLKNY-OAHLLOKOSA-N

InChI=1S/C20H18N2O3S/c23-20(22-9-12-5-6-16-17(7-12)25-11-24-16)15-8-14-13-3-1-2-4-18(13)26-19(14)10-21-15/h1-7,15,21H,8-11H2,(H,22,23)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H18N2O3S
Molecular Weight	366.434
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:35:16 GMT 2025` Edited by `admin` on `Wed Apr 02 13:35:16 GMT 2025`
Record UNII	PP22EB9LAB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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Common Name

English

(1)BENZOTHIENO(2,3-C)PYRIDINE-3-CARBOXAMIDE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2,3,4-TETRAHYDRO-, (3R)-

Preferred Name

English

(3R)-N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2,3,4-TETRAHYDRO(1)BENZOTHIENO(2,3-C)PYRIDINE-3-CARBOXAMIDE

Systematic Name

English

(4R)-N-((2H-1,3-BENZODIOXOL-5-YL)METHYL)-8-THIA-5-AZATRICYCLO(7.4.0.0(2,7))TRIDECA-1(13),2(7),9,11-TETRAENE-4-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

PP22EB9LAB

Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025

PRIMARY

PUBCHEM

9887402

Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025

PRIMARY

EPA CompTox

DTXSID90934204

Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025

PRIMARY

CAS

151227-58-6

Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025

PRIMARY

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