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

Systemtic Name: (3R)-N-[(2S)-2-ethoxy-3-(2-methoxyphenyl)sulfanyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-2-ethoxy-3-(2-methoxyphenyl)sulfanyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-2-ethoxy-3-[(2-methoxyphenyl)thio]propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-2-ethoxy-3-(2-methoxyphenyl)sulfanylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-[(2S)-2-ethoxy-3-[(2-methoxyphenyl)thio]propyl]amine Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC1COC2=CC=CC=C2SC1)CSC3=CC=CC=C3OC

Isomeric SMILES

CCO[C@@H](CN[C@@H]1COC2=CC=CC=C2SC1)CSC3=CC=CC=C3OC

InChI

InChI=1S/C21H27NO3S2/c1-3-24-17(15-27-20-10-6-4-8-18(20)23-2)12-22-16-13-25-19-9-5-7-11-21(19)26-14-16/h4-11,16-17,22H,3,12-15H2,1-2H3/t16-,17+/m1/s1