2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO3S2/c1-15-9-10-22(17-5-2-3-6-20(17)27-15)21(23)14-26-16-7-8-18-19(13-16)25-12-4-11-24-18/h2-3,5-8,13,15H,4,9-12,14H2,1H3