(5-ethanoyl-2-methoxy-phenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO4S2/c1-14(23)15-9-10-18(25-2)16(12-15)13-26-20(24)8-5-11-27-21-22-17-6-3-4-7-19(17)28-21/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3