ethyl 2-[(2-azanyl-5-fluoranyl-phenyl)amino]-6-bromanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-azanyl-5-fluoranyl-phenyl)amino]-6-bromanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-amino-5-fluoro-anilino)-6-bromo-benzothiophene-3-carboxylate CAS Name: 2-(2-amino-5-fluoroanilino)-6-bromo-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-5-fluoroanilino)-6-bromo-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-amino-5-fluoro-anilino)-6-bromo-benzothiophene-3-carboxylic acid ethyl ester Formula: C17H14BrFN2O2S MolecularWeight: 409.272663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)Br)NC3=C(C=CC(=C3)F)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)Br)NC3=C(C=CC(=C3)F)N

InChI

InChI=1S/C17H14BrFN2O2S/c1-2-23-17(22)15-11-5-3-9(18)7-14(11)24-16(15)21-13-8-10(19)4-6-12(13)20/h3-8,21H,2,20H2,1H3