[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9(2)14-12(15)8-17-13(16)10-4-6-11(18-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,15)