[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C22H24N2O4S/c1-2-3-6-14-27-18-11-9-17(10-12-18)22(26)28-16-21(25)24-19-7-4-5-8-20(19)29-15-13-23/h4-5,7-12H,2-3,6,14-16H2,1H3,(H,24,25)