4-[3-ethyl-3-(2-oxidanylbutyl)-4,5-dihydro-2H-1,4-benzothiazepin-5-yl]phenol

Systemtic Name: 4-[3-ethyl-3-(2-oxidanylbutyl)-4,5-dihydro-2H-1,4-benzothiazepin-5-yl]phenol Openeye Name: 4-[3-ethyl-3-(2-hydroxybutyl)-4,5-dihydro-2H-1,4-benzothiazepin-5-yl]phenol CAS Name: 4-[3-ethyl-3-(2-hydroxybutyl)-4,5-dihydro-2H-1,4-benzothiazepin-5-yl]phenol IUPAC Name: 4-[3-ethyl-3-(2-hydroxybutyl)-4,5-dihydro-2H-1,4-benzothiazepin-5-yl]phenol Traditional Name: 4-[3-ethyl-3-(2-hydroxybutyl)-4,5-dihydro-2H-1,4-benzothiazepin-5-yl]phenol Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1(CSC2=CC=CC=C2C(N1)C3=CC=C(C=C3)O)CC)O

Isomeric SMILES

CCC(CC1(CSC2=CC=CC=C2C(N1)C3=CC=C(C=C3)O)CC)O

InChI

InChI=1S/C21H27NO2S/c1-3-16(23)13-21(4-2)14-25-19-8-6-5-7-18(19)20(22-21)15-9-11-17(24)12-10-15/h5-12,16,20,22-24H,3-4,13-14H2,1-2H3