2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[1-cyclopentenyl(ethyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCN(C1=CCCC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-2-17(11-6-3-4-7-11)13(18)10-21-14-12(15(19)20)8-5-9-16-14/h5-6,8-9H,2-4,7,10H2,1H3,(H,19,20)