[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H15N3O3S/c21-11-12-27-18-8-4-3-7-16(18)23-19(24)13-26-20(25)17-10-9-14-5-1-2-6-15(14)22-17/h1-10H,12-13H2,(H,23,24)