methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-oxido-2-pyridin-1-iumyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-oxidopyridin-1-ium-2-yl)thio]butyric acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H15N3O4S/c1-24-17(22)15(16-18-11-6-2-3-7-12(11)19-16)13(21)10-25-14-8-4-5-9-20(14)23/h2-9,18-19H,10H2,1H3