[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-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:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C21H22N2O4S/c1-4-12-28-18-11-6-5-10-17(18)23-19(25)13-27-21(26)16-9-7-8-14(2)20(16)22-15(3)24/h4-11H,1,12-13H2,2-3H3,(H,22,24)(H,23,25)