ethyl 4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-isoxazole-3-carboxylate CAS Name: 4-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]-5-methyl-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 5-methyl-4-[(E)-C-methyl-N-thioureido-carbonimidoyl]isoxazole-3-carboxylic acid ethyl ester Formula: C10H14N4O3S MolecularWeight: 270.30816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=NNC(=S)N)C)C

Isomeric SMILES

CCOC(=O)C1=NOC(=C1/C(=N/NC(=S)N)/C)C

InChI

InChI=1S/C10H14N4O3S/c1-4-16-9(15)8-7(6(3)17-14-8)5(2)12-13-10(11)18/h4H2,1-3H3,(H3,11,13,18)/b12-5+