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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H17ClFNO3S/c1-2-27-21(26)17-12-15(10-13-6-4-3-5-7-13)28-20(17)24-19(25)16-9-8-14(23)11-18(16)22/h3-9,11-12H,2,10H2,1H3,(H,24,25)