[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H20ClNO4S/c1-13(20(25)22-16-5-3-4-15(21)12-16)26-19(24)11-10-18(23)14-6-8-17(27-2)9-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)/t13-/m1/s1