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

Systemtic Name: ethyl 3-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[4-(4-methoxyphenyl)sulfanylbutanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[4-[(4-methoxyphenyl)thio]butanoylamino]coumarilic acid ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-3-27-22(25)21-20(17-7-4-5-8-18(17)28-21)23-19(24)9-6-14-29-16-12-10-15(26-2)11-13-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,23,24)