1-chloranyl-1-(3,4-dihydro-2H-1,5-benzoxathiepin-3-ylamino)propan-2-ol

Systemtic Name: 1-chloranyl-1-(3,4-dihydro-2H-1,5-benzoxathiepin-3-ylamino)propan-2-ol Openeye Name: 1-chloro-1-(3,4-dihydro-2H-1,5-benzoxathiepin-3-ylamino)propan-2-ol CAS Name: 1-chloro-1-(3,4-dihydro-2H-1,5-benzoxathiepin-3-ylamino)-2-propanol IUPAC Name: 1-chloro-1-(3,4-dihydro-2H-1,5-benzoxathiepin-3-ylamino)propan-2-ol Traditional Name: 1-chloro-1-(3,4-dihydro-2H-1,5-benzoxathiepin-3-ylamino)propan-2-ol Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(NC1COC2=CC=CC=C2SC1)Cl)O

Isomeric SMILES

CC(C(NC1COC2=CC=CC=C2SC1)Cl)O

InChI

InChI=1S/C12H16ClNO2S/c1-8(15)12(13)14-9-6-16-10-4-2-3-5-11(10)17-7-9/h2-5,8-9,12,14-15H,6-7H2,1H3