2-[2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(1H-pyrrole-2-carbonylamino)ethyl]thio]nicotinic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC(=O)C2=CC=CN2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC(=O)C2=CC=CN2)C(=O)O

InChI

InChI=1S/C13H11N3O4S/c17-10(16-11(18)9-4-2-5-14-9)7-21-12-8(13(19)20)3-1-6-15-12/h1-6,14H,7H2,(H,19,20)(H,16,17,18)