methyl 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-1-carboxylate

Systemtic Name: methyl 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-1-carboxylate Openeye Name: methyl 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-1-carboxylate CAS Name: 2-[[(5,6-dimethoxy-1H-benzimidazol-2-yl)thio]methyl]-1-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-1-carboxylate Traditional Name: 2-[[(5,6-dimethoxy-1H-benzimidazol-2-yl)thio]methyl]benzimidazole-1-carboxylic acid methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=N2)SCC3=NC4=CC=CC=C4N3C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=N2)SCC3=NC4=CC=CC=C4N3C(=O)OC)OC

InChI

InChI=1S/C19H18N4O4S/c1-25-15-8-12-13(9-16(15)26-2)22-18(21-12)28-10-17-20-11-6-4-5-7-14(11)23(17)19(24)27-3/h4-9H,10H2,1-3H3,(H,21,22)