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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[3-(2-quinolylsulfanyl)propanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[3-(2-quinolylthio)propanoylamino]furan-3-carboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CCSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CCSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O5S/c1-4-28-22(27)20-19(13(2)25)14(3)29-21(20)24-17(26)11-12-30-18-10-9-15-7-5-6-8-16(15)23-18/h5-10H,4,11-12H2,1-3H3,(H,24,26)