3-[3-(3-oxidanidyl-3-oxidanylidene-propyl)-2-sulfanylidene-benzimidazol-1-yl]propanoate

Systemtic Name: 3-[3-(3-oxidanidyl-3-oxidanylidene-propyl)-2-sulfanylidene-benzimidazol-1-yl]propanoate Openeye Name: 3-[3-(3-oxido-3-oxo-propyl)-2-thioxo-benzimidazol-1-yl]propanoate CAS Name: 3-[3-(3-oxido-3-oxopropyl)-2-sulfanylidene-1-benzimidazolyl]propanoate IUPAC Name: 3-[3-(3-oxido-3-oxopropyl)-2-sulfanylidenebenzimidazol-1-yl]propanoate Traditional Name: 3-[3-(3-keto-3-oxido-propyl)-2-thioxo-benzimidazol-1-yl]propionate Formula: C13H12N2O4S-2 MolecularWeight: 292.31038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)N2CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)N2CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c16-11(17)5-7-14-9-3-1-2-4-10(9)15(13(14)20)8-6-12(18)19/h1-4H,5-8H2,(H,16,17)(H,18,19)/p-2