2-[2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)ethyl]thio]nicotinate Formula: C17H14N3O4S- MolecularWeight: 356.37576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CSC3=C(C=CC=N3)C(=O)[O-])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CSC3=C(C=CC=N3)C(=O)[O-])N(C1=O)C

InChI

InChI=1S/C17H15N3O4S/c1-19-12-6-5-10(8-13(12)20(2)17(19)24)14(21)9-25-15-11(16(22)23)4-3-7-18-15/h3-8H,9H2,1-2H3,(H,22,23)/p-1