ethyl 4-methyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H24N4O5S/c1-3-35-26(34)21-16(2)22(23(32)28-17-9-5-4-6-10-17)36-24(21)29-20(31)13-14-30-15-27-19-12-8-7-11-18(19)25(30)33/h4-12,15H,3,13-14H2,1-2H3,(H,28,32)(H,29,31)