[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylate CAS Name: 4-(4-methoxyphenyl)-5-methyl-2-thiophenecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate Traditional Name: 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H18O6S MolecularWeight: 410.43972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(S1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H18O6S/c1-13-17(14-3-6-16(25-2)7-4-14)10-21(29-13)22(24)26-11-18(23)15-5-8-19-20(9-15)28-12-27-19/h3-10H,11-12H2,1-2H3