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

Systemtic Name: ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-5-nitro-benzoyl)amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-4-methyl-5-phenyl-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(=C1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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