[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C14H19NO3S/c1-10(2)8-15-13(16)9-18-14(17)11-4-6-12(19-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,16)