ethyl 6-[(3-cyanophenyl)methoxy]-3-(phenylsulfinyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-[(3-cyanophenyl)methoxy]-3-(phenylsulfinyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfinyl)-6-[(3-cyanophenyl)methoxy]benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-6-[(3-cyanophenyl)methoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-6-[(3-cyanophenyl)methoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-6-(3-cyanobenzyl)oxy-benzothiophene-2-carboxylic acid ethyl ester Formula: C25H19NO4S2 MolecularWeight: 461.55266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO4S2/c1-2-29-25(27)23-24(32(28)20-9-4-3-5-10-20)21-12-11-19(14-22(21)31-23)30-16-18-8-6-7-17(13-18)15-26/h3-14H,2,16H2,1H3