2-azanyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-oxidanylidene-2-(1,3,4-thiadiazol-2-yl)propanoic acid

Systemtic Name: 2-azanyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-oxidanylidene-2-(1,3,4-thiadiazol-2-yl)propanoic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-amino-3-oxo-2-(1,3,4-thiadiazol-2-yl)propanoic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-amino-3-oxo-2-(1,3,4-thiadiazol-2-yl)propanoic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-amino-3-oxo-2-(1,3,4-thiadiazol-2-yl)propanoic acid Traditional Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-amino-3-keto-2-(1,3,4-thiadiazol-2-yl)propionic acid Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=O)C(C2=NN=CS2)(C(=O)O)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=O)C(C2=NN=CS2)(C(=O)O)N

InChI

InChI=1S/C19H23N3O6S2/c1-3-5-13-14(7-6-12(11(2)23)15(13)24)28-8-4-9-29-18(27)19(20,17(25)26)16-22-21-10-30-16/h6-7,10,24H,3-5,8-9,20H2,1-2H3,(H,25,26)