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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-phenyl-1H-indol-3-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-phenyl-1H-indol-3-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-phenyl-1H-indol-3-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-phenyl-1H-indol-3-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-phenyl-1H-indol-3-yl)ethanone Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)OC1

InChI

InChI=1S/C25H21NO3S/c27-21(16-30-18-11-12-22-23(15-18)29-14-6-13-28-22)24-19-9-4-5-10-20(19)26-25(24)17-7-2-1-3-8-17/h1-5,7-12,15,26H,6,13-14,16H2