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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3S/c1-9(2)7-16-13(17)8-19-14(18)11-6-10(20-3)4-5-12(11)15/h4-6,9H,7-8H2,1-3H3,(H,16,17)