5-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]valeric acid Formula: C25H24N2O6S3 MolecularWeight: 544.66286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC4=CC=CC=C4S3)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC4=CC=CC=C4S3)O)C(=O)O

InChI

InChI=1S/C25H24N2O6S3/c1-33-19-10-6-16(7-11-19)17-8-12-20(13-9-17)36(31,32)27-22(24(29)30)14-18(28)15-34-25-26-21-4-2-3-5-23(21)35-25/h2-13,18,22,27-28H,14-15H2,1H3,(H,29,30)