2-[[(2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol

Systemtic Name: 2-[[(2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol Openeye Name: 2-[[(2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol CAS Name: 2-[[(2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol IUPAC Name: 2-[[(2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol Traditional Name: 2-[[(2R)-2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5O

Isomeric SMILES

COC1=CC2=C(C=C1)N(CC[C@@H](S2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5O

InChI

InChI=1S/C24H23NO4S/c1-27-18-7-8-19-24(13-18)30-23(16-6-9-21-22(12-16)29-15-28-21)10-11-25(19)14-17-4-2-3-5-20(17)26/h2-9,12-13,23,26H,10-11,14-15H2,1H3/t23-/m1/s1