methyl 3-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-12-5-3-6-13-16(12)20-11-22(18(13)24)9-4-7-15(23)21-14-8-10-27-17(14)19(25)26-2/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,21,23)