2-[1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)SC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)SC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C17H12N2O6S/c20-14-7-13(26-15-10(17(22)23)2-1-5-18-15)16(21)19(14)9-3-4-11-12(6-9)25-8-24-11/h1-6,13H,7-8H2,(H,22,23)