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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2,5-diketo-1-piperonyl-pyrrolidin-3-yl)thio]nicotinic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CC2=CC3=C(C=C2)OCO3)SC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)CC2=CC3=C(C=C2)OCO3)SC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C18H14N2O6S/c21-15-7-14(27-16-11(18(23)24)2-1-5-19-16)17(22)20(15)8-10-3-4-12-13(6-10)26-9-25-12/h1-6,14H,7-9H2,(H,23,24)