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

Systemtic Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-methylpropyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(2S)-3-[(2-methoxyphenyl)thio]-2-methyl-propyl]-[(3R)-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amine Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(CS2)NCC(C)CSC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC[C@H](CS2)NC[C@H](C)CSC3=CC=CC=C3OC

InChI

InChI=1S/C21H27NO2S2/c1-15-8-9-19-21(10-15)26-14-17(12-24-19)22-11-16(2)13-25-20-7-5-4-6-18(20)23-3/h4-10,16-17,22H,11-14H2,1-3H3/t16-,17+/m0/s1