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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-(2-quinolin-2-ylsulfanylethanoylamino)furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-(2-quinolylsulfanyl)acetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-(2-quinolylthio)acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O5S/c1-4-27-21(26)19-18(12(2)24)13(3)28-20(19)23-16(25)11-29-17-10-9-14-7-5-6-8-15(14)22-17/h5-10H,4,11H2,1-3H3,(H,23,25)