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

Systemtic Name: ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-5-cyclopentyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-5-cyclopentyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-5-cyclopentyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-5-cyclopentylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-5-cyclopentyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2CCCC2)NC(=O)NCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2CCCC2)NC(=O)NCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O3S/c1-2-27-19(25)15-10-17(12-5-3-4-6-12)28-18(15)24-20(26)23-11-13-7-8-14(21)9-16(13)22/h7-10,12H,2-6,11H2,1H3,(H2,23,24,26)