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

Systemtic Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-propoxy-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-propoxy-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-propoxypropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-propoxypropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-[(2S)-3-[(2-methoxyphenyl)thio]-2-propoxy-propyl]amine Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3S2/c1-3-12-25-18(16-28-21-10-6-4-8-19(21)24-2)13-23-17-14-26-20-9-5-7-11-22(20)27-15-17/h4-11,17-18,23H,3,12-16H2,1-2H3/t17-,18+/m1/s1