[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c1-8(2)15-12(16)7-18-13(17)10-6-9(19-3)4-5-11(10)14/h4-6,8H,7H2,1-3H3,(H,15,16)