ethyl 3-(phenylsulfinyl)-6-(thiophen-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(phenylsulfinyl)-6-(thiophen-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfinyl)-6-(3-thienylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-6-(3-thiophenylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-6-(thiophen-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-6-(3-thenyloxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C22H18O4S3 MolecularWeight: 442.57092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CSC=C3)S(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CSC=C3)S(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18O4S3/c1-2-25-22(23)20-21(29(24)17-6-4-3-5-7-17)18-9-8-16(12-19(18)28-20)26-13-15-10-11-27-14-15/h3-12,14H,2,13H2,1H3