2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]ethanone Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27NO4S/c1-15-11-19(16(2)23(15)13-17-5-3-8-25-17)20(24)14-28-18-6-7-21-22(12-18)27-10-4-9-26-21/h6-7,11-12,17H,3-5,8-10,13-14H2,1-2H3