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

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]-5-methoxyphenol IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]-5-methoxy-phenol Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H25NO5S/c1-28-18-5-3-17(21(27)12-18)14-26-10-9-24(16-4-8-22-23(11-16)31-15-30-22)32-25-13-19(29-2)6-7-20(25)26/h3-8,11-13,24,27H,9-10,14-15H2,1-2H3