methyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)carbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H14BrFN2O3S MolecularWeight: 437.282763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)NCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)NCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H14BrFN2O3S/c1-25-17(23)16-15(12-4-2-3-5-14(12)26-16)22-18(24)21-9-10-6-7-11(19)8-13(10)20/h2-8H,9H2,1H3,(H2,21,22,24)