[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClNO4S/c1-14(24)16-5-9-18(10-6-16)23-21(26)15(2)27-20(25)4-3-13-28-19-11-7-17(22)8-12-19/h5-12,15H,3-4,13H2,1-2H3,(H,23,26)/t15-/m1/s1