3-(1,3-benzodioxol-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(2-thienyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2-thiophen-2-yl-1-pyrrolidinyl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(2-thienyl)pyrrolidino]propan-1-one Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C18H19NO3S/c20-18(19-9-1-3-14(19)17-4-2-10-23-17)8-6-13-5-7-15-16(11-13)22-12-21-15/h2,4-5,7,10-11,14H,1,3,6,8-9,12H2