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

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]-5-ethyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-benzoyl)amino]-5-ethyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-5-ethyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-5-ethyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzoyl)amino]-5-ethyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H17ClFNO3S MolecularWeight: 417.880983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClFNO3S/c1-3-16-17(12-7-5-4-6-8-12)18(21(26)27-2)20(28-16)24-19(25)14-10-9-13(23)11-15(14)22/h4-11H,3H2,1-2H3,(H,24,25)