2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(piperonylthio)ethanone Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21NO3S/c1-12-7-16(13(2)20(12)15-4-5-15)17(21)10-24-9-14-3-6-18-19(8-14)23-11-22-18/h3,6-8,15H,4-5,9-11H2,1-2H3