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

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-14(19(23)22-10-11-25-2)26-20(24)16-5-3-4-15(12-16)13-27-18-8-6-17(21)7-9-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23)/t14-/m1/s1