(3-bromophenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (3-bromophenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (3-bromophenyl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (3-bromobenzyl) ester Formula: C18H14BrNO2S2 MolecularWeight: 420.34326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO2S2/c19-15-3-1-2-13(8-15)9-22-18(21)14-4-6-17(7-5-14)24-11-16-10-23-12-20-16/h1-8,10,12H,9,11H2