2-(imidazol-1-ylmethyl)-3-methyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid

Systemtic Name: 2-(imidazol-1-ylmethyl)-3-methyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Openeye Name: 2-(imidazol-1-ylmethyl)-3-methyl-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid CAS Name: 2-(1-imidazolylmethyl)-3-methyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-(imidazol-1-ylmethyl)-3-methyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Traditional Name: 2-(imidazol-1-ylmethyl)-3-methyl-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1CCC(C2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(SC2=C1CCC(C2)C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C14H16N2O2S/c1-9-11-3-2-10(14(17)18)6-12(11)19-13(9)7-16-5-4-15-8-16/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)