2-methoxyethyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[2-furanyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furoylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CO2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C19H21N3O6S/c1-26-10-11-28-17(24)8-7-16(23)22-19(29)21-14-5-2-4-13(12-14)20-18(25)15-6-3-9-27-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,25)(H2,21,22,23,29)