[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H18ClNO3S2 MolecularWeight: 395.92342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1SC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC=CC=C1SC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S2/c1-12(25-14-9-7-13(19)8-10-14)18(22)23-11-17(21)20-15-5-3-4-6-16(15)24-2/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1