3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl-thiophen-2-yl-amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl-thiophen-2-yl-amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]-(2-thienyl)amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]-thiophen-2-ylamino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-thiophen-2-ylamino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 2-keto-3-[(2-phthalimidoacetyl)-(2-thienyl)amino]azetidine-1-sulfonic acid Formula: C17H13N3O7S2 MolecularWeight: 435.43102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)N(C2=CC=CS2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)N(C2=CC=CS2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13N3O7S2/c21-13(9-18-15(22)10-4-1-2-5-11(10)16(18)23)20(14-6-3-7-28-14)12-8-19(17(12)24)29(25,26)27/h1-7,12H,8-9H2,(H,25,26,27)