2-(2,6-dimethylphenoxy)ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)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-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 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-(2,6-dimethylphenoxy)ethyl ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H24N2O6S/c1-16-5-3-6-17(2)23(16)30-11-12-31-25(29)19-7-4-10-26-24(19)34-14-22(28)27-18-8-9-20-21(13-18)33-15-32-20/h3-10,13H,11-12,14-15H2,1-2H3,(H,27,28)