3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H17N3O4S/c21-16(12-25-15-8-3-4-10-20(15)23)24-11-5-9-19-14-7-2-1-6-13(14)18-17(19)22/h1-4,6-8,10H,5,9,11-12H2,(H,18,22)