methyl 3-(2-hydroxyphenyl)sulfanyl-6-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(2-hydroxyphenyl)sulfanyl-6-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(2-hydroxyphenyl)sulfanyl-6-(imidazol-1-ylmethyl)benzothiophene-2-carboxylate CAS Name: 3-[(2-hydroxyphenyl)thio]-6-(1-imidazolylmethyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-hydroxyphenyl)sulfanyl-6-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-hydroxyphenyl)thio]-6-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic acid methyl ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=CN=C3)SC4=CC=CC=C4O

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=CN=C3)SC4=CC=CC=C4O

InChI

InChI=1S/C20H16N2O3S2/c1-25-20(24)19-18(26-16-5-3-2-4-15(16)23)14-7-6-13(10-17(14)27-19)11-22-9-8-21-12-22/h2-10,12,23H,11H2,1H3