2-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(3-oxo-3-ureido-propyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[3-(carbamoylamino)-3-oxopropyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(carbamoylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-keto-3-ureido-propyl)thio]nicotinic acid Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCC(=O)NC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCC(=O)NC(=O)N)C(=O)O

InChI

InChI=1S/C10H11N3O4S/c11-10(17)13-7(14)3-5-18-8-6(9(15)16)2-1-4-12-8/h1-2,4H,3,5H2,(H,15,16)(H3,11,13,14,17)