(5-ethanoyl-2-methoxy-phenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO4S2/c1-13(22)14-7-8-17(24-2)15(11-14)12-25-19(23)9-10-26-20-21-16-5-3-4-6-18(16)27-20/h3-8,11H,9-10,12H2,1-2H3