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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO3S/c1-3-11-22-19(23)14(2)25-20(24)16-6-4-5-15(12-16)13-26-18-9-7-17(21)8-10-18/h3-10,12,14H,1,11,13H2,2H3,(H,22,23)/t14-/m1/s1