O2-ethyl O4-methyl 3-methyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C27H25N3O6S2 MolecularWeight: 551.6339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C27H25N3O6S2/c1-5-36-26(34)21-15(2)20(25(33)35-4)23(38-21)29-22(31)16(3)37-27-28-19-14-10-9-13-18(19)24(32)30(27)17-11-7-6-8-12-17/h6-14,16H,5H2,1-4H3,(H,29,31)