(2-cyanophenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (2-cyanophenyl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (2-cyanobenzyl) ester Formula: C19H14N2O2S2 MolecularWeight: 366.45666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O2S2/c20-9-15-3-1-2-4-16(15)10-23-19(22)14-5-7-18(8-6-14)25-12-17-11-24-13-21-17/h1-8,11,13H,10,12H2