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

Systemtic Name: methyl 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(isoxazol-3-ylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isoxazol-3-ylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC=C2)C

InChI

InChI=1S/C12H13N3O3S2/c1-6-7(2)20-10(9(6)11(16)17-3)14-12(19)13-8-4-5-18-15-8/h4-5H,1-3H3,(H2,13,14,15,19)