1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H27NO4S/c1-30-19-8-5-17(6-9-19)21(26)10-12-24(27)25-13-2-4-20(25)18-7-11-22-23(16-18)29-15-3-14-28-22/h5-9,11,16,20H,2-4,10,12-15H2,1H3