ethyl 3-(phenylsulfinyl)-6-(1,3-thiazol-5-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(phenylsulfinyl)-6-(1,3-thiazol-5-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfinyl)-6-(thiazol-5-ylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-6-(5-thiazolylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-6-(1,3-thiazol-5-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-6-(thiazol-5-ylmethoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17NO4S3 MolecularWeight: 443.55898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CS3)S(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CS3)S(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO4S3/c1-2-25-21(23)19-20(29(24)16-6-4-3-5-7-16)17-9-8-14(10-18(17)28-19)26-12-15-11-22-13-27-15/h3-11,13H,2,12H2,1H3