[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)NC(=O)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)NC(=O)C3CCCCC3)OC

InChI

InChI=1S/C23H25N3O6S/c1-30-18-10-16(23(29)32-13-20(27)26-22-15(12-24)8-9-33-22)17(11-19(18)31-2)25-21(28)14-6-4-3-5-7-14/h8-11,14H,3-7,13H2,1-2H3,(H,25,28)(H,26,27)