ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18BrFN2O3S MolecularWeight: 429.303823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)NCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)NCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H18BrFN2O3S/c1-4-24-16(22)14-9(2)10(3)25-15(14)21-17(23)20-8-11-5-6-12(18)7-13(11)19/h5-7H,4,8H2,1-3H3,(H2,20,21,23)