methyl 3-(furan-2-ylmethylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(2-furylmethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(2-furfurylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C12H12N2O3S2/c1-16-11(15)10-9(4-6-19-10)14-12(18)13-7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H2,13,14,18)