ethyl 4-(3,4-dimethylphenyl)-2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C31H27N3O4S2 MolecularWeight: 569.69378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C31H27N3O4S2/c1-4-38-30(37)27-24(21-15-14-19(2)20(3)16-21)17-39-28(27)33-26(35)18-40-31-32-25-13-9-8-12-23(25)29(36)34(31)22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3,(H,33,35)