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ethyl 6-(imidazol-1-ylmethyl)-3-(2-methylphenyl)sulfanyl-1-benzothiophene-2-carboxylate

ethyl 6-(imidazol-1-ylmethyl)-3-(2-methylphenyl)sulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name:ethyl 6-(imidazol-1-ylmethyl)-3-(2-methylphenyl)sulfanyl-1-benzothiophene-2-carboxylate
Openeye Name:ethyl 6-(imidazol-1-ylmethyl)-3-(o-tolylsulfanyl)benzothiophene-2-carboxylate
CAS Name:6-(1-imidazolylmethyl)-3-[(2-methylphenyl)thio]-1-benzothiophene-2-carboxylic acid ethyl ester
IUPAC Name:ethyl 6-(imidazol-1-ylmethyl)-3-(2-methylphenyl)sulfanyl-1-benzothiophene-2-carboxylate
Traditional Name:6-(imidazol-1-ylmethyl)-3-(o-tolylthio)benzothiophene-2-carboxylic acid ethyl ester
Formula: C22H20N2O2S2
MolecularWeight: 408.5364
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=CN=C3)SC4=CC=CC=C4C


Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=CN=C3)SC4=CC=CC=C4C


InChI

InChI=1S/C22H20N2O2S2/c1-3-26-22(25)21-20(27-18-7-5-4-6-15(18)2)17-9-8-16(12-19(17)28-21)13-24-11-10-23-14-24/h4-12,14H,3,13H2,1-2H3


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