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

Systemtic Name: 2-azanyl-2-(1,3-benzothiazol-6-yl)-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-amino-2-(1,3-benzothiazol-6-yl)-3-oxo-propanoic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-amino-2-(1,3-benzothiazol-6-yl)-3-oxopropanoic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-amino-2-(1,3-benzothiazol-6-yl)-3-oxopropanoic acid Traditional Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-amino-2-(1,3-benzothiazol-6-yl)-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)OCCCSC(=O)C(C2=CC3=C(C=C2)N=CS3)(C(=O)O)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=O)C(C2=CC3=C(C=C2)N=CS3)(C(=O)O)N

InChI

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