[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C18H17Cl2NO3S MolecularWeight: 398.30348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)CCSC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)CCSC2=CC=CC=C2)Cl

InChI

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