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

Systemtic Name: 3-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]amino]-3-keto-propionic acid Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-3-4-12-10(5-6-11(9(2)21)15(12)25)8-26-17-20-19-16(27-17)18-13(22)7-14(23)24/h5-6,25H,3-4,7-8H2,1-2H3,(H,23,24)(H,18,19,22)