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

Systemtic Name: methyl 2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2-nitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2-nitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O5S/c1-11-3-5-12(6-4-11)15-10-29-19(17(15)20(25)28-2)22-18(24)14-8-7-13(21)9-16(14)23(26)27/h3-10H,1-2H3,(H,22,24)