methyl 4-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(2-methyl-3-furoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C12H15N3O5S/c1-7-8(5-6-20-7)11(18)14-15-12(21)13-9(16)3-4-10(17)19-2/h5-6H,3-4H2,1-2H3,(H,14,18)(H2,13,15,16,21)