(3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine

Systemtic Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-methylpropyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(2S)-3-[(2-methoxyphenyl)thio]-2-methyl-propyl]-[(3R)-6-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=C2C(=CC=C1)OCC(CS2)NCC(C)CSC3=CC=CC=C3OC

Isomeric SMILES

CC1=C2C(=CC=C1)OC[C@H](CS2)NC[C@H](C)CSC3=CC=CC=C3OC

InChI

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