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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(7-ethyl-1H-indol-3-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(7-ethyl-1H-indol-3-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(7-ethyl-1H-indol-3-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(7-ethyl-1H-indol-3-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(7-ethyl-1H-indol-3-yl)ethanone Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21NO3S/c1-2-14-5-3-6-16-17(12-22-21(14)16)18(23)13-26-15-7-8-19-20(11-15)25-10-4-9-24-19/h3,5-8,11-12,22H,2,4,9-10,13H2,1H3