2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(isopentylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(isoamylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-9(2)5-7-14-11(16)8-19-12-10(13(17)18)4-3-6-15-12/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,16)(H,17,18)