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

Systemtic Name: ethyl (6R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-(1,3-benzodioxole-5-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-(1,3-benzodioxole-5-carbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-ethyl-2-(piperonyloylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO5S/c1-3-12-5-7-14-17(9-12)28-20(18(14)21(24)25-4-2)22-19(23)13-6-8-15-16(10-13)27-11-26-15/h6,8,10,12H,3-5,7,9,11H2,1-2H3,(H,22,23)/t12-/m1/s1