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

Systemtic Name: 2-[[3-oxidanylidene-2-(pyrrol-1-ylmethyl)-1H-isoindol-1-yl]sulfanyl]ethanoic acid Openeye Name: 2-[3-oxo-2-(pyrrol-1-ylmethyl)isoindolin-1-yl]sulfanylacetic acid CAS Name: 2-[[3-oxo-2-(1-pyrrolylmethyl)-1H-isoindol-1-yl]thio]acetic acid IUPAC Name: 2-[[3-oxo-2-(pyrrol-1-ylmethyl)-1H-isoindol-1-yl]sulfanyl]acetic acid Traditional Name: 2-[[3-keto-2-(pyrrol-1-ylmethyl)isoindolin-1-yl]thio]acetic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CN3C=CC=C3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CN3C=CC=C3)SCC(=O)O

InChI

InChI=1S/C15H14N2O3S/c18-13(19)9-21-15-12-6-2-1-5-11(12)14(20)17(15)10-16-7-3-4-8-16/h1-8,15H,9-10H2,(H,18,19)