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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-4-11-28-22(25)20-15-7-5-6-8-18(15)29-21(20)23-19(24)13-14-9-10-16(26-2)17(12-14)27-3/h9-10,12H,4-8,11,13H2,1-3H3,(H,23,24)