[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinolin-8-ylethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinolin-8-ylethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(8-quinolyl)acetate CAS Name: 2-(8-quinolinyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-quinolin-8-ylacetate Traditional Name: 2-(8-quinolyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CC2=CC=CC3=C2N=CC=C3)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CC2=CC=CC3=C2N=CC=C3)SCC#N

InChI

InChI=1S/C21H17N3O3S/c22-10-12-28-18-9-2-1-8-17(18)24-19(25)14-27-20(26)13-16-6-3-5-15-7-4-11-23-21(15)16/h1-9,11H,12-14H2,(H,24,25)