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

Systemtic Name: dimethyl 3-methyl-5-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(isoxazol-3-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isoxazol-3-ylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C13H13N3O5S2 MolecularWeight: 355.38942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5S2/c1-6-8(11(17)19-2)10(23-9(6)12(18)20-3)15-13(22)14-7-4-5-21-16-7/h4-5H,1-3H3,(H2,14,15,16,22)