ethyl 2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H21ClN2O6S MolecularWeight: 488.94064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C23H21ClN2O6S/c1-4-31-23(28)20-18(15-6-5-7-17(11-15)26(29)30)12-33-22(20)25-21(27)14(3)32-19-9-8-16(24)10-13(19)2/h5-12,14H,4H2,1-3H3,(H,25,27)