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

Systemtic Name: ethyl 3-[4-(4-methylphenyl)sulfanylbutanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[4-(p-tolylsulfanyl)butanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methylphenyl)sulfanylbutanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[4-(p-tolylthio)butanoylamino]coumarilic acid ethyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-3-26-22(25)21-20(17-7-4-5-8-18(17)27-21)23-19(24)9-6-14-28-16-12-10-15(2)11-13-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,23,24)