[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C21H22N2O4S/c1-3-12-28-19-7-5-4-6-18(19)23-20(25)14-27-21(26)17-10-8-16(9-11-17)13-22-15(2)24/h3-11H,1,12-14H2,2H3,(H,22,24)(H,23,25)