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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-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-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 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-pyrrolidino-ethyl) ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O6S/c25-18(23-14-5-6-16-17(10-14)30-13-29-16)12-31-20-15(4-3-7-22-20)21(27)28-11-19(26)24-8-1-2-9-24/h3-7,10H,1-2,8-9,11-13H2,(H,23,25)