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

Systemtic Name: ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-5-tert-butyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-5-tert-butyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-5-tert-butyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-5-tert-butylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-5-tert-butyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22BrFN2O3S MolecularWeight: 457.356983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFN2O3S/c1-5-26-17(24)13-9-15(19(2,3)4)27-16(13)23-18(25)22-10-11-6-7-12(20)8-14(11)21/h6-9H,5,10H2,1-4H3,(H2,22,23,25)