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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)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-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)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-keto-2-(2-thenylamino)ethyl] ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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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)NCC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H19N3O6S2/c26-19(24-10-15-3-2-8-32-15)11-29-22(28)16-4-1-7-23-21(16)33-12-20(27)25-14-5-6-17-18(9-14)31-13-30-17/h1-9H,10-13H2,(H,24,26)(H,25,27)