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

Systemtic Name: 5-(1,3-benzodioxol-4-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(1,3-benzodioxol-4-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(1,3-benzodioxol-4-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(1,3-benzodioxol-4-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(1,3-benzodioxol-4-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C24H23NO3S/c1-26-19-8-4-6-17(14-19)22-12-13-25(20-9-2-3-11-23(20)29-22)15-18-7-5-10-21-24(18)28-16-27-21/h2-11,14,22H,12-13,15-16H2,1H3