[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 3-(2,3-dimethoxyphenyl)propanoate

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 3-(2,3-dimethoxyphenyl)propanoate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] 3-(2,3-dimethoxyphenyl)propanoate CAS Name: 3-(2,3-dimethoxyphenyl)propanoic acid [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dimethoxyphenyl)propionic acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H22O5S/c1-14-16-8-4-5-10-19(16)28-22(14)17(23)13-27-20(24)12-11-15-7-6-9-18(25-2)21(15)26-3/h4-10H,11-13H2,1-3H3