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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C23H22ClNO4S MolecularWeight: 443.94308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClNO4S/c24-15-9-11-17(12-10-15)30-14-19-18-7-3-4-8-20(18)29-22(19)23(27)28-13-21(26)25-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,25,26)