[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C19H25NO4S/c1-13-7-9-15(10-8-13)20-18(22)11-24-19(23)16-5-3-4-6-17(16)25-12-14(2)21/h3-6,13,15H,7-12H2,1-2H3,(H,20,22)