[1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17Cl2NO3S MolecularWeight: 398.30348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2NO3S/c1-12(18(23)21-16-8-7-13(19)11-15(16)20)24-17(22)9-10-25-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23)