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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-5-16(32-17-11-12(3)14-9-7-8-10-15(14)25-17)21(28)26-22-19(20(24)27)18(13(4)31-22)23(29)30-6-2/h7-11,16H,5-6H2,1-4H3,(H2,24,27)(H,26,28)