(6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl 2-methyl-1-benzothiophene-6-carboxylate

Systemtic Name: (6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl 2-methyl-1-benzothiophene-6-carboxylate Openeye Name: (6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl 2-methylbenzothiophene-6-carboxylate CAS Name: 2-methyl-1-benzothiophene-6-carboxylic acid [6-(1-imidazolyl)-1-cyclohexa-1,5-dienyl]methyl ester IUPAC Name: (6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl 2-methyl-1-benzothiophene-6-carboxylate Traditional Name: 2-methylbenzothiophene-6-carboxylic acid (6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C=C(C=C2)C(=O)OCC3=CCCC=C3N4C=CN=C4

Isomeric SMILES

CC1=CC2=C(S1)C=C(C=C2)C(=O)OCC3=CCCC=C3N4C=CN=C4

InChI

InChI=1S/C20H18N2O2S/c1-14-10-15-6-7-16(11-19(15)25-14)20(23)24-12-17-4-2-3-5-18(17)22-9-8-21-13-22/h4-11,13H,2-3,12H2,1H3