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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-(3-quinolin-2-ylsulfanylpropanoylamino)furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[3-(2-quinolylsulfanyl)propanoylamino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-(3-quinolin-2-ylsulfanylpropanoylamino)furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[3-(2-quinolylthio)propanoylamino]furan-3-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-3-28-21(27)17-12(2)29-20(18(17)19(22)26)24-15(25)10-11-30-16-9-8-13-6-4-5-7-14(13)23-16/h4-9H,3,10-11H2,1-2H3,(H2,22,26)(H,24,25)