methyl 5-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]thiophene-2-carboxylate CAS Name: 5-[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 5-[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=CC=C(S3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=CC=C(S3)C(=O)OC

InChI

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