2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; ethanesulfonate

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; ethanesulfonate Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate; ethanesulfonate CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; ethanesulfonate IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; ethanesulfonate Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate esylate Formula: C20H20N2O7S-2 MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].COC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])OC

Isomeric SMILES

CCS(=O)(=O)[O-].COC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])OC

InChI

InChI=1S/C18H16N2O4.C2H6O3S/c1-23-14-8-6-11(10-15(14)24-2)7-9-16-19-13-5-3-4-12(18(21)22)17(13)20-16;1-2-6(3,4)5/h3-10H,1-2H3,(H,19,20)(H,21,22);2H2,1H3,(H,3,4,5)/p-2/b9-7+;