methyl 4-(benzimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(benzimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-(benzimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzoate CAS Name: 4-(1-benzimidazolyl)-2-ethynyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(benzimidazol-1-yl)-2-ethynyl-5-methylsulfonylbenzoate Traditional Name: 4-(benzimidazol-1-yl)-2-ethynyl-5-mesyl-benzoic acid methyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#C)N2C=NC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#C)N2C=NC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C18H14N2O4S/c1-4-12-9-16(20-11-19-14-7-5-6-8-15(14)20)17(25(3,22)23)10-13(12)18(21)24-2/h1,5-11H,2-3H3