2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C19H18BrNO3S/c1-12-6-13-4-2-3-5-16(13)21(12)19(22)10-25-9-14-7-17-18(8-15(14)20)24-11-23-17/h2-5,7-8,12H,6,9-11H2,1H3/t12-/m0/s1