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

Systemtic Name: diethyl 3-methyl-5-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(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)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O6S2/c1-4-36-26(34)22-17(3)23(27(35)37-5-2)39-24(22)30-21(32)15-16-38-28-29-20-14-10-9-13-19(20)25(33)31(28)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3,(H,30,32)