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

Systemtic Name: ethyl 3-[3-(4-methylphenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[3-(p-tolylsulfanyl)propanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-methylphenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[3-(p-tolylthio)propanoylamino]coumarilic acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO4S/c1-3-25-21(24)20-19(16-6-4-5-7-17(16)26-20)22-18(23)12-13-27-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,23)