[1,2-bis(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [1,2-bis(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [1,2-bis(4-methoxyphenyl)-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 [1,2-bis(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methoxyphenyl)-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-keto-1,2-bis(4-methoxyphenyl)ethyl] ester Formula: C31H26N2O8S MolecularWeight: 586.61174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H26N2O8S/c1-37-22-10-5-19(6-11-22)28(35)29(20-7-12-23(38-2)13-8-20)41-31(36)24-4-3-15-32-30(24)42-17-27(34)33-21-9-14-25-26(16-21)40-18-39-25/h3-16,29H,17-18H2,1-2H3,(H,33,34)