ethyl 2-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-oxo-2H-isoquinolin-3-yl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(1-oxo-2H-isoquinolin-3-yl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-oxo-2H-isoquinolin-3-yl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-keto-2H-isoquinolin-3-yl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H18N2O3S/c1-2-27-22(26)19-17(14-8-4-3-5-9-14)13-28-21(19)24-18-12-15-10-6-7-11-16(15)20(25)23-18/h3-13H,2H2,1H3,(H2,23,24,25)