2-[1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C18H13NO6S MolecularWeight: 371.36392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C18H13NO6S/c20-16-8-15(26-14-4-2-1-3-11(14)18(22)23)17(21)19(16)10-5-6-12-13(7-10)25-9-24-12/h1-7,15H,8-9H2,(H,22,23)