2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)allyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)allyl]thio]-1-pyrrolidino-ethanone Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSCC=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCN(C1)C(=O)CSC/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19NO3S/c18-16(17-7-1-2-8-17)11-21-9-3-4-13-5-6-14-15(10-13)20-12-19-14/h3-6,10H,1-2,7-9,11-12H2/b4-3+