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

Systemtic Name: (3,5-dimethylphenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 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 (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 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 (3,5-dimethylbenzyl) ester Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5S/c1-15-8-16(2)10-17(9-15)12-29-24(28)19-4-3-7-25-23(19)32-13-22(27)26-18-5-6-20-21(11-18)31-14-30-20/h3-11H,12-14H2,1-2H3,(H,26,27)