D-205

Details

Stereochemistry	RACEMIC
Molecular Formula	C48H47N3O4S3
Molecular Weight	826.099
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC[C@]1([H])C3=CC(\C=C4\S\C(N(CC(O)=O)C4=O)=C5\SC(=S)N(CCCCCCCC)C5=O)=CC=C3N2C6=CC=C(C=C(C7=CC=CC=C7)C8=CC=CC=C8)C=C6

InChI

InChIKey=WZGXSNHXTGGEGJ-XPXSWUFESA-N

InChI=1S/C48H47N3O4S3/c1-2-3-4-5-6-13-27-49-46(55)44(58-48(49)56)47-50(31-43(52)53)45(54)42(57-47)30-33-23-26-41-39(29-33)37-19-14-20-40(37)51(41)36-24-21-32(22-25-36)28-38(34-15-9-7-10-16-34)35-17-11-8-12-18-35/h7-12,15-18,21-26,28-30,37,40H,2-6,13-14,19-20,27,31H2,1H3,(H,52,53)/b42-30+,47-44+/t37-,40-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H47N3O4S3
Molecular Weight	826.099
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:25:20 GMT 2023` Edited by `admin` on `Sat Dec 16 15:25:20 GMT 2023`
Record UNII	HW06JF5C0Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D-205

Common Name

English

REL-(2E,5E)-5-(((3AR,8BR)-4-(4-(2,2-DIPHENYLETHENYL)PHENYL)-1,2,3,3A,4,8B-HEXAHYDROCYCLOPENT(B)INDOL-7-YL)METHYLENE)-2-(3-OCTYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-4-OXO-3-THIAZOLIDINEACETIC ACID

Systematic Name

English

D205 DYE [MI]

Common Name

English

3-THIAZOLIDINEACETIC ACID, 5-(((3AR,8BR)-4-(4-(2,2-DIPHENYLETHENYL)PHENYL)-1,2,3,3A,4,8B-HEXAHYDROCYCLOPENT(B)INDOL-7-YL)METHYLENE)-2-(3-OCTYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-4-OXO-, (2E,5E)-REL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

97161119