dimethyl 3-methyl-5-[3-(6-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-(6-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-(6-methyl-4-oxo-quinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(6-methyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-(6-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-keto-6-methyl-quinazolin-3-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN(C2=O)CCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN(C2=O)CCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C21H21N3O6S/c1-11-5-6-14-13(9-11)19(26)24(10-22-14)8-7-15(25)23-18-16(20(27)29-3)12(2)17(31-18)21(28)30-4/h5-6,9-10H,7-8H2,1-4H3,(H,23,25)