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

Systemtic Name: ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H16BrFN2O3S MolecularWeight: 415.277243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrFN2O3S/c1-3-23-15(21)12-6-9(2)24-14(12)20-16(22)19-8-10-4-5-11(17)7-13(10)18/h4-7H,3,8H2,1-2H3,(H2,19,20,22)