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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21NO3S/c1-13-20(16-6-3-4-7-17(16)22-13)21(23)14(2)26-15-8-9-18-19(12-15)25-11-5-10-24-18/h3-4,6-9,12,14,22H,5,10-11H2,1-2H3/t14-/m0/s1