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

Systemtic Name: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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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)NC(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-13-8-9-18(14(2)10-13)28-12-16-6-5-7-17(11-16)20(24)27-15(3)19(23)22-21(25)26-4/h5-11,15H,12H2,1-4H3,(H,22,23,25)/t15-/m1/s1