3-[[2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-1,3-benzothiazol-6-yl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-1,3-benzothiazol-6-yl]amino]-3-keto-propionic acid Formula: C24H26N2O6S2 MolecularWeight: 502.60304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC(=O)O

InChI

InChI=1S/C24H26N2O6S2/c1-3-5-17-19(9-7-16(14(2)27)23(17)31)32-10-4-11-33-24-26-18-8-6-15(12-20(18)34-24)25-21(28)13-22(29)30/h6-9,12,31H,3-5,10-11,13H2,1-2H3,(H,25,28)(H,29,30)