[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c1-11(16(19)20)22-17(21)13-4-2-3-12(9-13)10-23-15-7-5-14(18)6-8-15/h2-9,11H,10H2,1H3,(H2,19,20)/t11-/m1/s1