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

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol Openeye Name: 3-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol IUPAC Name: 3-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]phenol Traditional Name: 3-[[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=C5)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)O

InChI

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