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

Systemtic Name: 2-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(butylcarbamoylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(butylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(butylcarbamoylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C13H17N3O4S/c1-2-3-6-15-13(20)16-10(17)8-21-11-9(12(18)19)5-4-7-14-11/h4-5,7H,2-3,6,8H2,1H3,(H,18,19)(H2,15,16,17,20)