(2-cyclohexyl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (2-cyclohexyl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (2-cyclohexyl-2-oxo-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (2-cyclohexyl-2-oxoethyl) ester IUPAC Name: (2-cyclohexyl-2-oxoethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid (2-cyclohexyl-2-keto-ethyl) ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24N2O6S/c26-18(15-5-2-1-3-6-15)12-29-23(28)17-7-4-10-24-22(17)32-13-21(27)25-16-8-9-19-20(11-16)31-14-30-19/h4,7-11,15H,1-3,5-6,12-14H2,(H,25,27)