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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-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-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-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-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C21H15BrN2O6S2 MolecularWeight: 535.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)OCC(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)OCC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H15BrN2O6S2/c22-18-6-5-17(32-18)14(25)9-28-21(27)13-2-1-7-23-20(13)31-10-19(26)24-12-3-4-15-16(8-12)30-11-29-15/h1-8H,9-11H2,(H,24,26)