2-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid IUPAC Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]amino]-2-keto-acetic acid Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)NC(=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)NC(=O)C(=O)O

InChI

InChI=1S/C16H17N3O5S2/c1-3-4-11-9(5-6-10(8(2)20)12(11)21)7-25-16-19-18-15(26-16)17-13(22)14(23)24/h5-6,21H,3-4,7H2,1-2H3,(H,23,24)(H,17,18,22)