[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3S/c1-8(2)16-13(17)9(3)19-14(18)11-7-10(20-4)5-6-12(11)15/h5-9H,1-4H3,(H,16,17)