methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo-(phenethylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C23H20ClN3O6S MolecularWeight: 501.9394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O6S/c1-13-18(23(30)33-2)22(26-20(28)15-8-9-16(24)17(12-15)27(31)32)34-19(13)21(29)25-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,28)