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

Systemtic Name: methyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)carbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H12BrFN2O3S MolecularWeight: 387.224083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)NCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)NCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H12BrFN2O3S/c1-21-13(19)12-11(4-5-22-12)18-14(20)17-7-8-2-3-9(15)6-10(8)16/h2-6H,7H2,1H3,(H2,17,18,20)