ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[4-[(4-chlorophenyl)thio]butanoylamino]coumarilic acid ethyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO4S/c1-2-26-21(25)20-19(16-6-3-4-7-17(16)27-20)23-18(24)8-5-13-28-15-11-9-14(22)10-12-15/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,23,24)