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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)C3(CCCCC3)C#N

InChI

InChI=1S/C24H23N3O3S/c1-27(24(17-26)13-7-2-8-14-24)22(28)16-30-23(29)19-10-4-6-12-21(19)31-20-11-5-3-9-18(20)15-25/h3-6,9-12H,2,7-8,13-14,16H2,1H3