2-[(3-oxidanylidene-2-pyrrol-1-yl-1H-isoindol-1-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-oxidanylidene-2-pyrrol-1-yl-1H-isoindol-1-yl)sulfanyl]ethanoic acid Openeye Name: 2-(3-oxo-2-pyrrol-1-yl-isoindolin-1-yl)sulfanylacetic acid CAS Name: 2-[[3-oxo-2-(1-pyrrolyl)-1H-isoindol-1-yl]thio]acetic acid IUPAC Name: 2-[(3-oxo-2-pyrrol-1-yl-1H-isoindol-1-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-keto-2-pyrrol-1-yl-isoindolin-1-yl)thio]acetic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)N3C=CC=C3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)N3C=CC=C3)SCC(=O)O

InChI

InChI=1S/C14H12N2O3S/c17-12(18)9-20-14-11-6-2-1-5-10(11)13(19)16(14)15-7-3-4-8-15/h1-8,14H,9H2,(H,17,18)