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

Systemtic Name: 2-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cyclopropylcarbamoylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cyclopropylcarbamoylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CC1NC(=O)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c16-9(15-12(19)14-7-3-4-7)6-20-10-8(11(17)18)2-1-5-13-10/h1-2,5,7H,3-4,6H2,(H,17,18)(H2,14,15,16,19)