2-[3-[[2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenoxy]ethanol

Systemtic Name: 2-[3-[[2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenoxy]ethanol Openeye Name: 2-[3-[[2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenoxy]ethanol CAS Name: 2-[3-[[2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenoxy]ethanol IUPAC Name: 2-[3-[[2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenoxy]ethanol Traditional Name: 2-[3-[[2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenoxy]ethanol Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=CC(=CC=C4)OCCO)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=CC(=CC=C4)OCCO)OC

InChI

InChI=1S/C26H29NO3S/c1-19-16-21(10-11-24(19)29-2)25-12-13-27(23-8-3-4-9-26(23)31-25)18-20-6-5-7-22(17-20)30-15-14-28/h3-11,16-17,25,28H,12-15,18H2,1-2H3