[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H21N3O4S/c1-15-16-7-3-4-8-17(16)25-19(13-29-2)22(15)23(28)30-14-21(27)26-18-9-5-6-10-20(18)31-12-11-24/h3-10H,12-14H2,1-2H3,(H,26,27)