2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-4-15(5-2,6-3)17-12(18)10-21-13-11(14(19)20)8-7-9-16-13/h1,7-9H,5-6,10H2,2-3H3,(H,17,18)(H,19,20)