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

Systemtic Name: 4-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: 4-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 4-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]butanoate IUPAC Name: 4-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 4-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thio]butyrate Formula: C18H21N2O4S3- MolecularWeight: 425.56534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCC(=O)[O-]

InChI

InChI=1S/C18H22N2O4S3/c1-3-5-14-12(7-8-13(11(2)21)16(14)24)10-26-18-20-19-17(27-18)25-9-4-6-15(22)23/h7-8,24H,3-6,9-10H2,1-2H3,(H,22,23)/p-1