pyridin-3-ylmethyl 2-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: pyridin-3-ylmethyl 2-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-1,3-thiazole-4-carboxylate Openeye Name: 3-pyridylmethyl 2-[(2-benzyloxy-5-chloro-phenyl)methyl]thiazole-4-carboxylate CAS Name: 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-thiazolecarboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-benzoxy-5-chloro-benzyl)thiazole-4-carboxylic acid 3-pyridylmethyl ester Formula: C24H19ClN2O3S MolecularWeight: 450.93726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C24H19ClN2O3S/c25-20-8-9-22(29-14-17-5-2-1-3-6-17)19(11-20)12-23-27-21(16-31-23)24(28)30-15-18-7-4-10-26-13-18/h1-11,13,16H,12,14-15H2