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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CSC3=CSC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CSC3=CSC=C3)CC(=O)O

InChI

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