IDN-5005

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22F3NO5S
Molecular Weight	469.474
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C(OC)=C2C(CC[C@H](NC(=O)C(F)(F)F)C3=CC(=O)C(SC)=CC=C23)=C1

InChI

InChIKey=LNELBQZKXVASLW-AWEZNQCLSA-N

InChI=1S/C22H22F3NO5S/c1-29-16-9-11-5-7-14(26-21(28)22(23,24)25)13-10-15(27)17(32-4)8-6-12(13)18(11)20(31-3)19(16)30-2/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22F3NO5S
Molecular Weight	469.474
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 `Mon Mar 31 22:49:09 GMT 2025` Edited by `admin` on `Mon Mar 31 22:49:09 GMT 2025`
Record UNII	56PC0J2FKW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IDN-5005

Common Name

English

NSC-320301

Preferred Name

English

ACETAMIDE, 2,2,2-TRIFLUORO-N-((7S)-5,6,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO(A)HEPTALEN-7-YL)-

Systematic Name

English

ACETAMIDE, 2,2,2-TRIFLUORO-N-(5,6,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO(A)HEPTALEN-7-YL)-, (S)-

Systematic Name

English

Code System Code Type Description

CAS

76129-16-3