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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c1-10-5-2-3-7-12(10)19-14(20)9-13(16(19)21)24-15-11(17(22)23)6-4-8-18-15/h2-8,13H,9H2,1H3,(H,22,23)