5-(1,3-benzodioxol-4-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(1,3-benzodioxol-4-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(1,3-benzodioxol-4-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(1,3-benzodioxol-4-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(1,3-benzodioxol-4-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(1,3-benzodioxol-4-ylmethyl)-8-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC=CC=C3OC)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC=CC=C3OC)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C25H25NO4S/c1-27-18-10-11-20-24(14-18)31-23(19-7-3-4-8-21(19)28-2)12-13-26(20)15-17-6-5-9-22-25(17)30-16-29-22/h3-11,14,23H,12-13,15-16H2,1-2H3