2-(1,3-benzodioxol-5-yl)-3-oxidanyl-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanyl-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C22H17NO5S/c24-20-21(13-6-9-17-18(10-13)27-12-26-17)29-19-11-15(7-8-16(19)23-22(20)25)28-14-4-2-1-3-5-14/h1-11,20-21,24H,12H2,(H,23,25)