ethyl 3-(phenylsulfinyl)-6-(1-pyridin-3-ylethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(phenylsulfinyl)-6-(1-pyridin-3-ylethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfinyl)-6-[1-(3-pyridyl)ethoxy]benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-6-[1-(3-pyridinyl)ethoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-6-(1-pyridin-3-ylethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-6-[1-(3-pyridyl)ethoxy]benzothiophene-2-carboxylic acid ethyl ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OC(C)C3=CN=CC=C3)S(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OC(C)C3=CN=CC=C3)S(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S2/c1-3-28-24(26)22-23(31(27)19-9-5-4-6-10-19)20-12-11-18(14-21(20)30-22)29-16(2)17-8-7-13-25-15-17/h4-16H,3H2,1-2H3