methyl 4-ethyl-5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-(isoxazol-3-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-2-(isoxazol-3-ylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC=C2)C

InChI

InChI=1S/C13H15N3O3S2/c1-4-8-7(2)21-11(10(8)12(17)18-3)15-13(20)14-9-5-6-19-16-9/h5-6H,4H2,1-3H3,(H2,14,15,16,20)