[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-3-21-18(22)13(2)24-19(23)15-6-4-5-14(11-15)12-25-17-9-7-16(20)8-10-17/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m0/s1