[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3S/c1-10(2)17(4,9-19)20-15(21)11(3)23-16(22)13-8-12(24-5)6-7-14(13)18/h6-8,10-11H,1-5H3,(H,20,21)