2,3-bis(oxidanyl)butanedioic acid; 4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 2,3-dihydroxybutanedioic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 2,3-dihydroxybutanedioic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 2,3-dihydroxybutanedioic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one; tartaric acid Formula: C26H34N2O11S2 MolecularWeight: 614.68496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O5S2.C4H6O6/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-12-23-11-4-15-31(27,28)16-14-29-13-10-17-5-2-1-3-6-17;5-1(3(7)8)2(6)4(9)10/h1-3,5-8,23,25H,4,9-16H2,(H,24,26);1-2,5-6H,(H,7,8)(H,9,10)