ethyl 4-ethanoyl-5-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-6-18(32-19-12-13(3)16-10-8-9-11-17(16)25-19)22(28)26-23-21(24(29)30-7-2)20(14(4)27)15(5)31-23/h8-12,18H,6-7H2,1-5H3,(H,26,28)