(2-imidazol-1-ylphenyl)methyl 2-methyl-6,7-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: (2-imidazol-1-ylphenyl)methyl 2-methyl-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: (2-imidazol-1-ylphenyl)methyl 2-methyl-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: 2-methyl-6,7-dihydro-1-benzothiophene-5-carboxylic acid [2-(1-imidazolyl)phenyl]methyl ester IUPAC Name: (2-imidazol-1-ylphenyl)methyl 2-methyl-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 2-methyl-6,7-dihydrobenzothiophene-5-carboxylic acid (2-imidazol-1-ylbenzyl) ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S/c1-14-10-17-11-15(6-7-19(17)25-14)20(23)24-12-16-4-2-3-5-18(16)22-9-8-21-13-22/h2-5,8-11,13H,6-7,12H2,1H3