(3R)-N-[(2S)-3-(1H-indazol-7-ylsulfanyl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine

Systemtic Name: (3R)-N-[(2S)-3-(1H-indazol-7-ylsulfanyl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(1H-indazol-7-ylsulfanyl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-(1H-indazol-7-ylthio)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(1H-indazol-7-ylsulfanyl)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-[(2S)-3-(1H-indazol-7-ylthio)-2-methyl-propyl]amine Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1COC2=CC=CC=C2SC1)CSC3=CC=CC4=C3NN=C4

Isomeric SMILES

C[C@@H](CN[C@@H]1COC2=CC=CC=C2SC1)CSC3=CC=CC4=C3NN=C4

InChI

InChI=1S/C20H23N3OS2/c1-14(12-25-19-8-4-5-15-10-22-23-20(15)19)9-21-16-11-24-17-6-2-3-7-18(17)26-13-16/h2-8,10,14,16,21H,9,11-13H2,1H3,(H,22,23)/t14-,16+/m0/s1