(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid (2-phenylthiazol-4-yl)methyl ester Formula: C26H18ClNO3S2 MolecularWeight: 492.00902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H18ClNO3S2/c27-18-10-12-20(13-11-18)32-16-22-21-8-4-5-9-23(21)31-24(22)26(29)30-14-19-15-33-25(28-19)17-6-2-1-3-7-17/h1-13,15H,14,16H2