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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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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)N2C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C)C(=O)OC)C

InChI

InChI=1S/C22H23N3O6S2/c1-6-31-21(29)16-11(2)15(20(28)30-5)18(33-16)24-17(26)12(3)32-22-23-14-10-8-7-9-13(14)19(27)25(22)4/h7-10,12H,6H2,1-5H3,(H,24,26)