butyl 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-[[(4-chlorophenyl)thio]methyl]-2-benzofuranyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-[[(4-chlorophenyl)thio]methyl]benzofuran-2-carbonyl]amino]benzoic acid butyl ester Formula: C27H24ClNO4S MolecularWeight: 494.00176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClNO4S/c1-2-3-16-32-27(31)18-8-12-20(13-9-18)29-26(30)25-23(22-6-4-5-7-24(22)33-25)17-34-21-14-10-19(28)11-15-21/h4-15H,2-3,16-17H2,1H3,(H,29,30)