2-[2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(1H-pyrrole-2-carbonylamino)ethyl]thio]benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S/c17-12(16-13(18)10-5-3-7-15-10)8-21-11-6-2-1-4-9(11)14(19)20/h1-7,15H,8H2,(H,19,20)(H,16,17,18)