ethyl 4-ethanoyl-5-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)furan-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[2-(2-quinolylsulfanyl)butanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[2-(2-quinolylthio)butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)C)C(=O)OCC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)C)C(=O)OCC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H24N2O5S/c1-5-17(31-18-12-11-15-9-7-8-10-16(15)24-18)21(27)25-22-20(23(28)29-6-2)19(13(3)26)14(4)30-22/h7-12,17H,5-6H2,1-4H3,(H,25,27)