[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C18H18ClNO3S/c1-13(18(22)20-15-7-5-6-14(19)12-15)23-17(21)10-11-24-16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,20,22)