2-(1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(pyrrolidine-1-carbonyl)propylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[1-oxo-1-(1-pyrrolidinyl)butan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[1-(pyrrolidine-1-carbonyl)propylthio]nicotinic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCC(C(=O)N1CCCC1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-2-11(13(17)16-8-3-4-9-16)20-12-10(14(18)19)6-5-7-15-12/h5-7,11H,2-4,8-9H2,1H3,(H,18,19)