(3,5-dimethylphenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (3,5-dimethylphenyl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (3,5-dimethylbenzyl) ester Formula: C20H19NO2S2 MolecularWeight: 369.50036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)C

InChI

InChI=1S/C20H19NO2S2/c1-14-7-15(2)9-16(8-14)10-23-20(22)17-3-5-19(6-4-17)25-12-18-11-24-13-21-18/h3-9,11,13H,10,12H2,1-2H3