[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OC(C)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)O[C@H](C)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO4S/c1-15-4-6-18(7-5-15)13-27-14-20(23)26-16(2)21(24)22-12-17-8-10-19(25-3)11-9-17/h4-11,16H,12-14H2,1-3H3,(H,22,24)/t16-/m1/s1