(3R)-N-[(2S)-3-(2-azanyl-3-methoxy-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine

Systemtic Name: (3R)-N-[(2S)-3-(2-azanyl-3-methoxy-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(2-amino-3-methoxy-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-[(2-amino-3-methoxyphenyl)thio]-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(2-amino-3-methoxyphenyl)sulfanyl-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(2S)-3-[(2-amino-3-methoxy-phenyl)thio]-2-methyl-propyl]-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amine Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1COC2=CC=CC=C2SC1)CSC3=CC=CC(=C3N)OC

Isomeric SMILES

C[C@@H](CN[C@@H]1COC2=CC=CC=C2SC1)CSC3=CC=CC(=C3N)OC

InChI

InChI=1S/C20H26N2O2S2/c1-14(12-25-19-9-5-7-17(23-2)20(19)21)10-22-15-11-24-16-6-3-4-8-18(16)26-13-15/h3-9,14-15,22H,10-13,21H2,1-2H3/t14-,15+/m0/s1