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

Systemtic Name: methyl 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(5-methylisoxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(5-methylisoxazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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