2-(1,3-benzodioxol-5-yl)-8-phenoxy-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-8-phenoxy-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-8-phenoxy-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-8-phenoxy-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-8-phenoxy-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-8-phenoxy-1,5-benzothiazepine Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H15NO3S/c1-2-4-16(5-3-1)26-17-7-8-18-22(13-17)27-21(10-11-23-18)15-6-9-19-20(12-15)25-14-24-19/h1-13H,14H2