2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-indolin-1-yl-propan-1-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-indolin-1-yl-propan-1-one Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21NO3S/c1-14(20(22)21-10-9-15-5-2-3-6-17(15)21)25-16-7-8-18-19(13-16)24-12-4-11-23-18/h2-3,5-8,13-14H,4,9-12H2,1H3