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

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25NO5S/c1-3-13-9-10-14-18(11-13)29-21(19(14)22(25)26-4-2)23-20(24)17-12-27-15-7-5-6-8-16(15)28-17/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,23,24)