methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyridin-2-ylsulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyridin-2-ylsulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(2-pyridylsulfanyl)butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(2-pyridinylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyridin-2-ylsulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(2-pyridylthio)butyric acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H15N3O3S/c1-23-17(22)15(13(21)10-24-14-8-4-5-9-18-14)16-19-11-6-2-3-7-12(11)20-16/h2-9,19-20H,10H2,1H3