[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c21-11-13-29-17-9-5-4-8-16(17)24-18(25)14-28-19(26)10-12-22-20(27)23-15-6-2-1-3-7-15/h1-9H,10,12-14H2,(H,24,25)(H2,22,23,27)