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

Systemtic Name: ethyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furoylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-2-25-16(23)9-8-15(22)21-18(27)20-13-6-3-5-12(11-13)19-17(24)14-7-4-10-26-14/h3-7,10-11H,2,8-9H2,1H3,(H,19,24)(H2,20,21,22,27)