ethyl 2-[(methoxycarbonylamino)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(methoxycarbonylamino)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(methoxycarbonylamino)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(methoxycarbonylhydrazo)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(methoxycarbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(carbomethoxyamino)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C12H17N3O4S2 MolecularWeight: 331.41108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NNC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NNC(=O)OC

InChI

InChI=1S/C12H17N3O4S2/c1-5-19-10(16)8-6(2)7(3)21-9(8)13-11(20)14-15-12(17)18-4/h5H2,1-4H3,(H,15,17)(H2,13,14,20)