[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H16N2O4S/c21-16(19-8-7-13-5-3-9-25-13)11-24-18(23)15-10-12-4-1-2-6-14(12)17(22)20-15/h1-6,9-10H,7-8,11H2,(H,19,21)(H,20,22)