[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C25H20ClNO4S MolecularWeight: 465.9486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClNO4S/c26-18-10-12-19(13-11-18)32-16-21-20-8-4-5-9-22(20)31-24(21)25(29)30-15-23(28)27-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,27,28)