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

Systemtic Name: ethyl 6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C24H29NO5S/c1-5-28-23(27)20-15-11-10-14(24(2,3)4)12-19(15)31-22(20)25-21(26)18-13-29-16-8-6-7-9-17(16)30-18/h6-9,14,18H,5,10-13H2,1-4H3,(H,25,26)