[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H16N2O6S/c22-15(20-18(25)14-6-3-9-28-14)11-27-17(24)7-8-21-16(23)10-12-4-1-2-5-13(12)19(21)26/h1-6,9H,7-8,10-11H2,(H,20,22,25)