ethyl 3-oxidanylidene-4-[[7-oxidanylidene-3,6-bis(phenylmethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[[7-oxidanylidene-3,6-bis(phenylmethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]butanoate Openeye Name: ethyl 4-(3,6-dibenzyl-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-3-oxo-butanoate CAS Name: 3-oxo-4-[[7-oxo-3,6-bis(phenylmethyl)-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3,6-dibenzyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(3,6-dibenzyl-7-keto-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl)thio]-3-keto-butyric acid ethyl ester Formula: C25H23N3O4S3 MolecularWeight: 525.66282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC(=S)N2CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC(=S)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S3/c1-2-32-20(30)13-19(29)16-34-24-26-22-21(23(31)28(24)15-18-11-7-4-8-12-18)35-25(33)27(22)14-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3