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

Systemtic Name: 2-[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(ethylcarbamoylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(ethylcarbamoylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c1-2-12-11(18)14-8(15)6-19-9-7(10(16)17)4-3-5-13-9/h3-5H,2,6H2,1H3,(H,16,17)(H2,12,14,15,18)