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

Systemtic Name: [(2S)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1S)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1S)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

C[C@@H](C(=O)N(C)C1CCCCC1)OC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C19H27NO4S/c1-13(18(21)20(2)14-8-6-5-7-9-14)24-19(22)16-11-10-15(25-4)12-17(16)23-3/h10-14H,5-9H2,1-4H3/t13-/m0/s1