ethyl 6-(1,3-benzodioxol-5-yloxymethyl)-3-(3-methoxyphenyl)sulfinyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yloxymethyl)-3-(3-methoxyphenyl)sulfinyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 6-(1,3-benzodioxol-5-yloxymethyl)-3-(3-methoxyphenyl)sulfinyl-benzothiophene-2-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yloxymethyl)-3-(3-methoxyphenyl)sulfinyl-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzodioxol-5-yloxymethyl)-3-(3-methoxyphenyl)sulfinyl-1-benzothiophene-2-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yloxymethyl)-3-(3-methoxyphenyl)sulfinyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C26H22O7S2 MolecularWeight: 510.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)COC3=CC4=C(C=C3)OCO4)S(=O)C5=CC=CC(=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)COC3=CC4=C(C=C3)OCO4)S(=O)C5=CC=CC(=C5)OC

InChI

InChI=1S/C26H22O7S2/c1-3-30-26(27)24-25(35(28)19-6-4-5-17(12-19)29-2)20-9-7-16(11-23(20)34-24)14-31-18-8-10-21-22(13-18)33-15-32-21/h4-13H,3,14-15H2,1-2H3