4-oxidanyl-7-[2-[2-[3-(2-phenylsulfanylethoxy)propylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 4-oxidanyl-7-[2-[2-[3-(2-phenylsulfanylethoxy)propylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[2-[2-[3-(2-phenylsulfanylethoxy)propylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[2-[2-[3-[2-(phenylthio)ethoxy]propylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[2-[2-[3-(2-phenylsulfanylethoxy)propylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[2-[2-[3-[2-(phenylthio)ethoxy]propylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C22H28N2O5S3 MolecularWeight: 496.66312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOCCCS(=O)(=O)CCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)SCCOCCCS(=O)(=O)CCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C22H28N2O5S3/c25-19-8-7-17(21-20(19)24-22(26)31-21)9-10-23-11-16-32(27,28)15-4-12-29-13-14-30-18-5-2-1-3-6-18/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)