3-[[3-[3-(1,3-benzothiazol-6-ylcarbonylamino)propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-[3-(1,3-benzothiazol-6-ylcarbonylamino)propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[3-[3-(1,3-benzothiazole-6-carbonylamino)propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[3-[[3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]propylthio]methyl]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[3-[3-(1,3-benzothiazole-6-carbonylamino)propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[3-[[3-(1,3-benzothiazole-6-carbonylamino)propylthio]methyl]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C22H23N3O6S3 MolecularWeight: 521.62952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC(CC(=O)O)C=O)CSCCCNC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC(CC(=O)O)C=O)CSCCCNC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C22H23N3O6S3/c26-12-17(11-21(27)28)25-34(30,31)18-4-1-3-15(9-18)13-32-8-2-7-23-22(29)16-5-6-19-20(10-16)33-14-24-19/h1,3-6,9-10,12,14,17,25H,2,7-8,11,13H2,(H,23,29)(H,27,28)