[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxylic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C23H19NO6S MolecularWeight: 437.46506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H19NO6S/c1-27-19-7-3-2-5-16(19)18(25)14-30-23(26)17-6-4-10-24-22(17)31-15-8-9-20-21(13-15)29-12-11-28-20/h2-10,13H,11-12,14H2,1H3