(3R)-N-[2-[(2-methoxyphenyl)sulfanylmethyl]-3-methyl-but-2-enyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine

Systemtic Name: (3R)-N-[2-[(2-methoxyphenyl)sulfanylmethyl]-3-methyl-but-2-enyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[2-[(2-methoxyphenyl)sulfanylmethyl]-3-methyl-but-2-enyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[2-[[(2-methoxyphenyl)thio]methyl]-3-methylbut-2-enyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[2-[(2-methoxyphenyl)sulfanylmethyl]-3-methylbut-2-enyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-[2-[[(2-methoxyphenyl)thio]methyl]-3-methyl-but-2-enyl]amine Formula: C22H27NO2S2 MolecularWeight: 401.58528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2S2/c1-16(2)17(14-26-21-10-6-4-8-19(21)24-3)12-23-18-13-25-20-9-5-7-11-22(20)27-15-18/h4-11,18,23H,12-15H2,1-3H3/t18-/m1/s1