methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-chloro-6-fluoro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-chloro-6-fluorobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-chloro-6-fluoro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H15ClFNO3S MolecularWeight: 403.854403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H15ClFNO3S/c1-26-20(25)14-11-13(10-12-6-3-2-4-7-12)27-19(14)23-18(24)17-15(21)8-5-9-16(17)22/h2-9,11H,10H2,1H3,(H,23,24)