2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H23NO3S/c1-4-20-13(2)10-16(14(20)3)17(21)12-24-15-6-7-18-19(11-15)23-9-5-8-22-18/h6-7,10-11H,4-5,8-9,12H2,1-3H3