[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl thiophene-2-carboxylate

Systemtic Name: [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl thiophene-2-carboxylate Openeye Name: [3-nitro-4-(p-tolylsulfanyl)phenyl]methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-nitro-4-(p-tolylthio)benzyl] ester Formula: C19H15NO4S2 MolecularWeight: 385.4567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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