methyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(5-methylisoxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(5-methylisoxazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C13H15N3O3S2/c1-6-5-9(16-19-6)14-13(20)15-11-10(12(17)18-4)7(2)8(3)21-11/h5H,1-4H3,(H2,14,15,16,20)