[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4S/c1-19(30)29-16-15-20-9-5-6-12-22(20)24(29)17-27(32)33-18-26(31)28-23-13-7-8-14-25(23)34-21-10-3-2-4-11-21/h2-16,24H,17-18H2,1H3,(H,28,31)