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

Systemtic Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-(homoveratroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29NO5S/c1-5-14-7-9-16-19(12-14)30-22(21(16)23(26)29-6-2)24-20(25)13-15-8-10-17(27-3)18(11-15)28-4/h8,10-11,14H,5-7,9,12-13H2,1-4H3,(H,24,25)