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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(isoxazol-3-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(isoxazol-3-ylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NOC=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NOC=C2)C(=O)OC)C

InChI

InChI=1S/C16H20N4O4S2/c1-5-20(6-2)14(21)12-9(3)11(15(22)23-4)13(26-12)18-16(25)17-10-7-8-24-19-10/h7-8H,5-6H2,1-4H3,(H2,17,18,19,25)