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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methylindolin-1-yl)propan-1-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methyl-2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methylindolin-1-yl)propan-1-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)C(C)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO3S/c1-14-12-16-6-3-4-7-18(16)22(14)21(23)15(2)26-17-8-9-19-20(13-17)25-11-5-10-24-19/h3-4,6-9,13-15H,5,10-12H2,1-2H3