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

Systemtic Name: 2-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C16H18N2O4S3 MolecularWeight: 398.52012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S3/c1-3-4-12-10(5-6-11(9(2)19)14(12)22)7-23-15-17-18-16(25-15)24-8-13(20)21/h5-6,22H,3-4,7-8H2,1-2H3,(H,20,21)