2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H19NO3S/c1-11-8-14(12(2)18(11)3)15(19)10-22-13-4-5-16-17(9-13)21-7-6-20-16/h4-5,8-9H,6-7,10H2,1-3H3