methyl 5-methylsulfanyl-4-[(3-nitrophenyl)amino]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[(3-nitrophenyl)amino]thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-(3-nitroanilino)thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-(3-nitroanilino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-(3-nitroanilino)thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-(3-nitroanilino)thiophene-2-carboxylic acid methyl ester Formula: C13H12N2O4S2 MolecularWeight: 324.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c1-19-12(16)11-7-10(13(20-2)21-11)14-8-4-3-5-9(6-8)15(17)18/h3-7,14H,1-2H3