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

Systemtic Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)Cl)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H22ClNO4S/c1-14(16-4-3-5-17(22)12-16)23-20(25)13-27-21(26)11-10-19(24)15-6-8-18(28-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,25)/t14-/m1/s1