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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H23NO3S/c1-13-10-17(14(2)21(13)15-4-5-15)18(22)12-25-16-6-7-19-20(11-16)24-9-3-8-23-19/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3