TIAGABINE 4-METHYLTHIOPHENE ISOMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25NO2S2
Molecular Weight	375.548
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TIAGABINE 4-METHYLTHIOPHENE ISOMER

Structure Search

SMILES

CC1=CSC(=C1)C(=CCCN2CCC[C@H](C2)C(O)=O)C3=CC(C)=CS3

InChI

InChIKey=OXZOKITXBCIECG-MRXNPFEDSA-N

InChI=1S/C20H25NO2S2/c1-14-9-18(24-12-14)17(19-10-15(2)13-25-19)6-4-8-21-7-3-5-16(11-21)20(22)23/h6,9-10,12-13,16H,3-5,7-8,11H2,1-2H3,(H,22,23)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H25NO2S2
Molecular Weight	375.548
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 `Sat Dec 16 18:27:59 GMT 2023` Edited by `admin` on `Sat Dec 16 18:27:59 GMT 2023`
Record UNII	VW82A7Z6XK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIAGABINE 4-METHYLTHIOPHENE ISOMER

Common Name

English

3-PIPERIDINECARBOXYLIC ACID, 1-(4,4-BIS(4-METHYL-2-THIENYL)-3-BUTEN-1-YL)-

Systematic Name

English

(R)-1-(4,4-BIS(4-METHYL-2-THIENYL)-3-BUTEN-1-YL)-3-PIPERIDINECARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

109857-65-0