ethyl (6R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-(1,3-benzodioxole-5-carbonylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-(1,3-benzodioxole-5-carbonylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-(piperonyloylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C(C)(C)C)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27NO5S/c1-5-27-22(26)19-15-8-7-14(23(2,3)4)11-18(15)30-21(19)24-20(25)13-6-9-16-17(10-13)29-12-28-16/h6,9-10,14H,5,7-8,11-12H2,1-4H3,(H,24,25)/t14-/m1/s1