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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(1-benzyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2,5-dioxo-1-(phenylmethyl)-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-benzyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(1-benzyl-2,5-diketo-pyrrolidin-3-yl)thio]nicotinic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c20-14-9-13(24-15-12(17(22)23)7-4-8-18-15)16(21)19(14)10-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,22,23)