ethyl 3-[4-(phenylmethylsulfanyl)butanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[4-(phenylmethylsulfanyl)butanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(4-benzylsulfanylbutanoylamino)benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-4-(phenylmethylthio)butyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylsulfanylbutanoylamino)-1-benzofuran-2-carboxylate Traditional Name: 3-[4-(benzylthio)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)CCCSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-2-26-22(25)21-20(17-11-6-7-12-18(17)27-21)23-19(24)13-8-14-28-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,23,24)