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

Systemtic Name: propyl 4-[[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: propyl 4-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]amino]benzoic acid propyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H21N3O3S/c1-2-12-26-20(25)15-7-9-16(10-8-15)22-14-19(24)23-17-5-3-4-6-18(17)27-13-11-21/h3-10,22H,2,12-14H2,1H3,(H,23,24)