1,1-bis(oxidanylidene)-2-[2-oxidanyl-3-(4-phenylphenoxy)propyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[2-oxidanyl-3-(4-phenylphenoxy)propyl]-1,2-benzothiazol-3-one Openeye Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O

InChI

InChI=1S/C22H19NO5S/c24-18(14-23-22(25)20-8-4-5-9-21(20)29(23,26)27)15-28-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,18,24H,14-15H2