[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C21H23N3O3S/c1-2-3-13-23-17-9-5-4-8-16(17)21(26)27-15-20(25)24-18-10-6-7-11-19(18)28-14-12-22/h4-11,23H,2-3,13-15H2,1H3,(H,24,25)