[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1S)-2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H22ClNO4S/c1-14(21(26)23-13-16-5-3-4-6-18(16)22)27-20(25)12-11-19(24)15-7-9-17(28-2)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)/t14-/m0/s1