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

Systemtic Name: methyl 5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(isoxazol-3-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isoxazol-3-ylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C11H11N3O3S2 MolecularWeight: 297.35334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=NOC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=NOC=C2)C(=O)OC

InChI

InChI=1S/C11H11N3O3S2/c1-6-5-7(10(15)16-2)9(19-6)13-11(18)12-8-3-4-17-14-8/h3-5H,1-2H3,(H2,12,13,14,18)