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

Systemtic Name: ethyl 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[3-[(4-methoxyphenyl)thio]propanoylamino]coumarilic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-3-26-21(24)20-19(16-6-4-5-7-17(16)27-20)22-18(23)12-13-28-15-10-8-14(25-2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,23)