ethyl 3-(2-methylphenyl)sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(2-methylphenyl)sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(o-tolylsulfanyl)-6-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-[(2-methylphenyl)thio]-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylphenyl)sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(o-tolylthio)-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C24H21NO3S2 MolecularWeight: 435.55844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CC=C3)SC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CC=C3)SC4=CC=CC=C4C

InChI

InChI=1S/C24H21NO3S2/c1-3-27-24(26)23-22(29-20-9-5-4-7-16(20)2)19-11-10-18(13-21(19)30-23)28-15-17-8-6-12-25-14-17/h4-14H,3,15H2,1-2H3