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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19NO3S/c1-13(20(22)16-12-21-17-6-3-2-5-15(16)17)25-14-7-8-18-19(11-14)24-10-4-9-23-18/h2-3,5-8,11-13,21H,4,9-10H2,1H3/t13-/m1/s1