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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-(2-quinolin-2-ylsulfanylbutanoylamino)furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[2-(2-quinolylsulfanyl)butanoylamino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-(2-quinolin-2-ylsulfanylbutanoylamino)furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[2-(2-quinolylthio)butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-4-15(31-16-11-10-13-8-6-7-9-14(13)24-16)20(27)25-21-18(19(23)26)17(12(3)30-21)22(28)29-5-2/h6-11,15H,4-5H2,1-3H3,(H2,23,26)(H,25,27)