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

Systemtic Name: (3R)-N-[(2S)-3-(2-methoxy-3-methyl-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(2-methoxy-3-methyl-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-[(2-methoxy-3-methylphenyl)thio]-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(2-methoxy-3-methylphenyl)sulfanyl-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-[(2-methoxy-3-methyl-phenyl)thio]-2-methyl-propyl]amine Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCC(C)CNC2COC3=CC=CC=C3SC2)OC

Isomeric SMILES

CC1=C(C(=CC=C1)SC[C@@H](C)CN[C@@H]2COC3=CC=CC=C3SC2)OC

InChI

InChI=1S/C21H27NO2S2/c1-15(13-25-20-10-6-7-16(2)21(20)23-3)11-22-17-12-24-18-8-4-5-9-19(18)26-14-17/h4-10,15,17,22H,11-14H2,1-3H3/t15-,17+/m0/s1