[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-3-16-6-10-18(11-7-16)23-21(25)15(2)26-20(24)5-4-14-27-19-12-8-17(22)9-13-19/h6-13,15H,3-5,14H2,1-2H3,(H,23,25)/t15-/m0/s1