[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C15H19NO4S/c1-9(14(17)16-10-4-5-10)20-15(18)12-7-6-11(21-3)8-13(12)19-2/h6-10H,4-5H2,1-3H3,(H,16,17)/t9-/m1/s1