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

Systemtic Name: (3R)-N-[(2S)-2-methyl-3-(2-methylphenyl)sulfanyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-2-methyl-3-(o-tolylsulfanyl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-2-methyl-3-[(2-methylphenyl)thio]propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-2-methyl-3-(2-methylphenyl)sulfanylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-[(2S)-2-methyl-3-(o-tolylthio)propyl]amine Formula: C20H25NOS2 MolecularWeight: 359.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(C)CNC2COC3=CC=CC=C3SC2

Isomeric SMILES

CC1=CC=CC=C1SC[C@@H](C)CN[C@@H]2COC3=CC=CC=C3SC2

InChI

InChI=1S/C20H25NOS2/c1-15(13-23-19-9-5-3-7-16(19)2)11-21-17-12-22-18-8-4-6-10-20(18)24-14-17/h3-10,15,17,21H,11-14H2,1-2H3/t15-,17+/m0/s1