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

Systemtic Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-4-oxidanyl-5-(1,3-thiazol-2-ylsulfanyl)pentanoic acid Openeye Name: 4-hydroxy-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-thiazol-2-ylsulfanyl-pentanoic acid CAS Name: 4-hydroxy-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-5-(2-thiazolylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-(1,3-thiazol-2-ylsulfanyl)pentanoic acid Traditional Name: 4-hydroxy-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-5-(thiazol-2-ylthio)valeric acid Formula: C21H22N2O5S4 MolecularWeight: 510.66978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC=CS3)O)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC=CS3)O)C(=O)O

InChI

InChI=1S/C21H22N2O5S4/c1-29-17-6-2-14(3-7-17)15-4-8-18(9-5-15)32(27,28)23-19(20(25)26)12-16(24)13-31-21-22-10-11-30-21/h2-11,16,19,23-24H,12-13H2,1H3,(H,25,26)