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

Systemtic Name: butyl 2-[(3,4-dimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(veratroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid butyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-4-5-12-28-22(25)19-15-8-6-7-9-18(15)29-21(19)23-20(24)14-10-11-16(26-2)17(13-14)27-3/h10-11,13H,4-9,12H2,1-3H3,(H,23,24)