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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-3-8-25-21(24)18-14-6-4-12(2)9-17(14)28-20(18)22-19(23)13-5-7-15-16(10-13)27-11-26-15/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H,22,23)/t12-/m1/s1