diethyl 3-methyl-5-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O6S/c1-4-29-20(27)16-12(3)17(21(28)30-5-2)31-18(16)23-15(25)10-24-11-22-14-9-7-6-8-13(14)19(24)26/h6-9,11H,4-5,10H2,1-3H3,(H,23,25)