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

Systemtic Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(homoveratroylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-5-28-22(25)20-15-8-6-13(2)10-18(15)29-21(20)23-19(24)12-14-7-9-16(26-3)17(11-14)27-4/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,23,24)