[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl thiophene-2-carboxylate

Systemtic Name: [2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl thiophene-2-carboxylate Openeye Name: [5-nitro-2-(p-tolylsulfanyl)phenyl]methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl ester IUPAC Name: [2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [5-nitro-2-(p-tolylthio)benzyl] ester Formula: C19H15NO4S2 MolecularWeight: 385.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C3=CC=CS3

InChI

InChI=1S/C19H15NO4S2/c1-13-4-7-16(8-5-13)26-17-9-6-15(20(22)23)11-14(17)12-24-19(21)18-3-2-10-25-18/h2-11H,12H2,1H3