[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C19H24N2O3S/c1-2-25-16-10-6-5-9-15(16)18(23)24-13-17(22)21-19(14-20)11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,21,22)