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

Systemtic Name: ethyl 4-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate Openeye Name: ethyl 4-[5-(2-ethoxy-2-oxo-ethyl)sulfanyl-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl]benzoate CAS Name: 4-[5-[(2-ethoxy-2-oxoethyl)thio]-7-oxo-6-phenyl-2-sulfanylidene-3-thiazolo[4,5-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-ethoxy-2-oxoethyl)sulfanyl-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate Traditional Name: 4-[5-[(2-ethoxy-2-keto-ethyl)thio]-7-keto-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl]benzoic acid ethyl ester Formula: C24H21N3O5S3 MolecularWeight: 527.63564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C24H21N3O5S3/c1-3-31-18(28)14-34-23-25-20-19(21(29)27(23)16-8-6-5-7-9-16)35-24(33)26(20)17-12-10-15(11-13-17)22(30)32-4-2/h5-13H,3-4,14H2,1-2H3