2-[3-oxidanylidene-2-(thiophen-2-ylsulfanylmethyl)-1H-isoindol-1-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-2-(thiophen-2-ylsulfanylmethyl)-1H-isoindol-1-yl]ethanoic acid Openeye Name: 2-[3-oxo-2-(2-thienylsulfanylmethyl)isoindolin-1-yl]acetic acid CAS Name: 2-[3-oxo-2-[(thiophen-2-ylthio)methyl]-1H-isoindol-1-yl]acetic acid IUPAC Name: 2-[3-oxo-2-(thiophen-2-ylsulfanylmethyl)-1H-isoindol-1-yl]acetic acid Traditional Name: 2-[3-keto-2-[(2-thienylthio)methyl]isoindolin-1-yl]acetic acid Formula: C15H13NO3S2 MolecularWeight: 319.39862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CSC3=CC=CS3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CSC3=CC=CS3)CC(=O)O

InChI

InChI=1S/C15H13NO3S2/c17-13(18)8-12-10-4-1-2-5-11(10)15(19)16(12)9-21-14-6-3-7-20-14/h1-7,12H,8-9H2,(H,17,18)