[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-14(19(22)21(2)13-15-8-6-5-7-9-15)25-20(23)17-11-10-16(26-4)12-18(17)24-3/h5-12,14H,13H2,1-4H3/t14-/m1/s1