N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]benzothiophene-2-carboxamide CAS Name: N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]benzothiophene-2-carboxamide Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C(C2=CC3=C(C=C2)OCCO3)O)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C[C@H]([C@@H](C2=CC3=C(C=C2)OCCO3)O)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N2O4S/c27-23(17-7-8-19-20(13-17)30-12-11-29-19)18(15-26-9-3-4-10-26)25-24(28)22-14-16-5-1-2-6-21(16)31-22/h1-2,5-8,13-14,18,23,27H,3-4,9-12,15H2,(H,25,28)/t18-,23-/m1/s1