methyl 2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C13H11N3O4S2 MolecularWeight: 337.37414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S2/c1-20-12(17)10-6-7-22-11(10)15-13(21)14-8-2-4-9(5-3-8)16(18)19/h2-7H,1H3,(H2,14,15,21)