[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-4-14-6-8-19-16(9-14)11-20(29-19)22(25)28-13-21(24)23-12-15-5-7-17(26-2)18(10-15)27-3/h5,7,10-11,14H,4,6,8-9,12-13H2,1-3H3,(H,23,24)