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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 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)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C27H25N3O6S2/c1-4-36-26(34)22-16(2)21(25(33)35-3)23(38-22)29-20(31)14-15-37-27-28-19-13-9-8-12-18(19)24(32)30(27)17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3,(H,29,31)