[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OC(C)C(=O)NCC2=CC=CC=C2OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)O[C@H](C)C(=O)NCC2=CC=CC=C2OC)C

InChI

InChI=1S/C21H25NO4S/c1-14-9-10-19(15(2)11-14)27-13-20(23)26-16(3)21(24)22-12-17-7-5-6-8-18(17)25-4/h5-11,16H,12-13H2,1-4H3,(H,22,24)/t16-/m1/s1