ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-4-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-4-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-4-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-4-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20BrFN2O3S MolecularWeight: 443.330403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrFN2O3S/c1-4-25-17(23)15-13(10(2)3)9-26-16(15)22-18(24)21-8-11-5-6-12(19)7-14(11)20/h5-7,9-10H,4,8H2,1-3H3,(H2,21,22,24)