ethyl 4-(5-methylsulfanyl-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)benzoate

Systemtic Name: ethyl 4-(5-methylsulfanyl-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)benzoate Openeye Name: ethyl 4-(5-methylsulfanyl-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl)benzoate CAS Name: 4-[5-(methylthio)-7-oxo-6-phenyl-2-sulfanylidene-3-thiazolo[4,5-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-methylsulfanyl-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)benzoate Traditional Name: 4-[7-keto-5-(methylthio)-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl]benzoic acid ethyl ester Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SC)C4=CC=CC=C4)SC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SC)C4=CC=CC=C4)SC2=S

InChI

InChI=1S/C21H17N3O3S3/c1-3-27-19(26)13-9-11-15(12-10-13)23-17-16(30-21(23)28)18(25)24(20(22-17)29-2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3