(3S,4S)-4-(diethylaminomethyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol

Systemtic Name: (3S,4S)-4-(diethylaminomethyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Openeye Name: (3S,4S)-4-(diethylaminomethyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol CAS Name: (3S,4S)-4-(diethylaminomethyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol IUPAC Name: (3S,4S)-4-(diethylaminomethyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Traditional Name: (3S,4S)-4-(diethylaminomethyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1C(COC2=C(S1)C=C(C=C2)OC)O

Isomeric SMILES

CCN(CC)C[C@H]1[C@H](COC2=C(S1)C=C(C=C2)OC)O

InChI

InChI=1S/C15H23NO3S/c1-4-16(5-2)9-15-12(17)10-19-13-7-6-11(18-3)8-14(13)20-15/h6-8,12,15,17H,4-5,9-10H2,1-3H3/t12-,15-/m0/s1