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

Systemtic Name: methyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furoylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c1-24-15(22)8-7-14(21)20-17(26)19-12-5-2-4-11(10-12)18-16(23)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H,18,23)(H2,19,20,21,26)