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

Systemtic Name: 2-[1-(2,3-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(2,3-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(2,3-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(2,3-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(2,3-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)C

InChI

InChI=1S/C18H16N2O4S/c1-10-5-3-7-13(11(10)2)20-15(21)9-14(17(20)22)25-16-12(18(23)24)6-4-8-19-16/h3-8,14H,9H2,1-2H3,(H,23,24)