[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C17H23NO3S/c1-12-7-3-5-9-14(12)18-16(19)11-21-17(20)13-8-4-6-10-15(13)22-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H,18,19)