[2-(1H-benzimidazol-2-ylmethyl)-3,5,6-trimethyl-4-oxidanyl-phenyl] thiophene-2-carboxylate

Systemtic Name: [2-(1H-benzimidazol-2-ylmethyl)-3,5,6-trimethyl-4-oxidanyl-phenyl] thiophene-2-carboxylate Openeye Name: [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethyl-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethylphenyl] ester IUPAC Name: [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethylphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethyl-phenyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C)CC2=NC3=CC=CC=C3N2)OC(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C)CC2=NC3=CC=CC=C3N2)OC(=O)C4=CC=CS4)C

InChI

InChI=1S/C22H20N2O3S/c1-12-13(2)21(27-22(26)18-9-6-10-28-18)15(14(3)20(12)25)11-19-23-16-7-4-5-8-17(16)24-19/h4-10,25H,11H2,1-3H3,(H,23,24)