[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)CC2=CC=CS2)OC)OC)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)CC2=CC=CS2)OC)OC)C3(CCCCC3)C#N

InChI

InChI=1S/C25H29N3O6S/c1-28(25(16-26)9-5-4-6-10-25)23(30)15-34-24(31)18-13-20(32-2)21(33-3)14-19(18)27-22(29)12-17-8-7-11-35-17/h7-8,11,13-14H,4-6,9-10,12,15H2,1-3H3,(H,27,29)