2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-5-nitro-benzoic acid

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-5-nitro-benzoic acid Openeye Name: 2-(4,5-dihydrothiazol-2-ylsulfanyl)-5-nitro-benzoic acid CAS Name: 2-(4,5-dihydrothiazol-2-ylthio)-5-nitrobenzoic acid IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-5-nitrobenzoic acid Traditional Name: 5-nitro-2-(2-thiazolin-2-ylthio)benzoic acid Formula: C10H8N2O4S2 MolecularWeight: 284.31152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H8N2O4S2/c13-9(14)7-5-6(12(15)16)1-2-8(7)18-10-11-3-4-17-10/h1-2,5H,3-4H2,(H,13,14)