ethyl 2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-nitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-nitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O5S/c1-3-29-21(26)18-16(13-6-4-12(2)5-7-13)11-30-20(18)23-19(25)15-10-14(22)8-9-17(15)24(27)28/h4-11H,3H2,1-2H3,(H,23,25)