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

Systemtic Name: ethyl 5-chloranyl-2-[(3-nitrophenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[(3-nitrobenzoyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[(3-nitrophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[(3-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[(3-nitrobenzoyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O5S/c1-2-28-20(25)16-15(12-7-4-3-5-8-12)17(21)29-19(16)22-18(24)13-9-6-10-14(11-13)23(26)27/h3-11H,2H2,1H3,(H,22,24)