2-(1,3-benzodioxol-5-yl)-4-phenyl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Formula: C22H17NO2S MolecularWeight: 359.44088

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C=C(NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C=C(NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H17NO2S/c1-2-6-15(7-3-1)18-13-22(26-21-9-5-4-8-17(21)23-18)16-10-11-19-20(12-16)25-14-24-19/h1-13,22-23H,14H2