(5-ethanoyl-2-methoxy-phenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic 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)C2=CC=CC=C2CSC3=NCCS3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2CSC3=NCCS3

InChI

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