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

Systemtic Name: ethyl 2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-chloro-2-fluoro-phenyl)carbamoylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-fluoroanilino)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-chloro-2-fluoro-phenyl)carbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H18ClFN2O3S MolecularWeight: 432.895623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H18ClFN2O3S/c1-2-28-20(26)16-12-15(10-13-6-4-3-5-7-13)29-19(16)25-21(27)24-18-9-8-14(22)11-17(18)23/h3-9,11-12H,2,10H2,1H3,(H2,24,25,27)