methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-benzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-5-(1-phenylethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylic acid methyl ester Formula: C21H17ClFNO3S MolecularWeight: 417.880983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C3=C(C=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C3=C(C=C(C=C3)F)Cl)C(=O)OC

InChI

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