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

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

InChI

InChI=1S/C22H25N3O4S/c1-5-29-22(28)18-14(3)15(4)30-20(18)24-17(26)10-7-11-25-12-23-19-13(2)8-6-9-16(19)21(25)27/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,24,26)