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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N)C2(CCCCC2)C#N

InChI

InChI=1S/C19H23N3O4S/c1-22(19(13-20)9-5-2-6-10-19)17(24)11-26-18(25)14-7-3-4-8-15(14)27-12-16(21)23/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,21,23)