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

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N4O5S/c1-4-30-21(29)16-12(2)17(18(27)22-3)31-19(16)24-15(26)9-10-25-11-23-14-8-6-5-7-13(14)20(25)28/h5-8,11H,4,9-10H2,1-3H3,(H,22,27)(H,24,26)