diethyl 3-methyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H27N3O6S2 MolecularWeight: 565.66048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O6S2/c1-5-36-26(34)21-16(3)22(27(35)37-6-2)39-24(21)30-23(32)17(4)38-28-29-20-15-11-10-14-19(20)25(33)31(28)18-12-8-7-9-13-18/h7-15,17H,5-6H2,1-4H3,(H,30,32)