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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19NO3S/c1-13-20(15-5-2-3-6-16(15)21-13)17(22)12-25-14-7-8-18-19(11-14)24-10-4-9-23-18/h2-3,5-8,11,21H,4,9-10,12H2,1H3