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

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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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)NCCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-15-8-9-20(16(2)12-15)28-14-18-6-5-7-19(13-18)22(25)27-17(3)21(24)23-10-11-26-4/h5-9,12-13,17H,10-11,14H2,1-4H3,(H,23,24)/t17-/m1/s1