[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H21N3O3S/c24-14-17-8-2-4-10-19(17)30-20-11-5-3-9-18(20)22(28)29-15-21(27)26-23(16-25)12-6-1-7-13-23/h2-5,8-11H,1,6-7,12-13,15H2,(H,26,27)