3-(1,3-benzodioxol-5-yl)-8-phenoxy-5H-1,5-benzothiazepin-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-8-phenoxy-5H-1,5-benzothiazepin-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-8-phenoxy-5H-1,5-benzothiazepin-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-8-phenoxy-5H-1,5-benzothiazepin-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-8-phenoxy-5H-1,5-benzothiazepin-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-8-phenoxy-5H-1,5-benzothiazepin-2-one Formula: C22H15NO4S MolecularWeight: 389.4238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CNC4=C(C=C(C=C4)OC5=CC=CC=C5)SC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CNC4=C(C=C(C=C4)OC5=CC=CC=C5)SC3=O

InChI

InChI=1S/C22H15NO4S/c24-22-17(14-6-9-19-20(10-14)26-13-25-19)12-23-18-8-7-16(11-21(18)28-22)27-15-4-2-1-3-5-15/h1-12,23H,13H2