2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C18H21NO3S/c1-4-19-12(2)9-15(13(19)3)16(20)11-23-14-5-6-17-18(10-14)22-8-7-21-17/h5-6,9-10H,4,7-8,11H2,1-3H3