4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl furan-2-carboxylate

Systemtic Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl furan-2-carboxylate Openeye Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 4-[(1-methyl-2-benzimidazolyl)thio]but-2-ynyl ester IUPAC Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 4-[(1-methylbenzimidazol-2-yl)thio]but-2-ynyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC#CCOC(=O)C3=CC=CO3

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC#CCOC(=O)C3=CC=CO3

InChI

InChI=1S/C17H14N2O3S/c1-19-14-8-3-2-7-13(14)18-17(19)23-12-5-4-10-22-16(20)15-9-6-11-21-15/h2-3,6-9,11H,10,12H2,1H3