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

Systemtic Name: methyl 6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27NO5S/c1-23(2,3)13-9-10-14-18(11-13)30-21(19(14)22(26)27-4)24-20(25)17-12-28-15-7-5-6-8-16(15)29-17/h5-8,13,17H,9-12H2,1-4H3,(H,24,25)