2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-indolin-1-yl-ethanone CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-indolin-1-yl-ethanone Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)N3CCC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)N3CCC4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C20H20ClNO3S/c21-16-10-14(11-18-20(16)25-9-3-8-24-18)12-26-13-19(23)22-7-6-15-4-1-2-5-17(15)22/h1-2,4-5,10-11H,3,6-9,12-13H2