[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H23NO5S/c1-14-16-6-4-5-7-19(16)29-21(14)22(25)28-13-20(24)23-11-10-15-8-9-17(26-2)18(12-15)27-3/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)