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

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H15ClFNO3S MolecularWeight: 403.854403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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