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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OC(C)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)O[C@H](C)C(=O)N)C

InChI

InChI=1S/C19H21NO3S/c1-12-7-8-17(13(2)9-12)24-11-15-5-4-6-16(10-15)19(22)23-14(3)18(20)21/h4-10,14H,11H2,1-3H3,(H2,20,21)/t14-/m1/s1