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

Systemtic Name: ethyl 2-[(2-azanyl-5-fluoranyl-phenyl)amino]-6-methyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-amino-5-fluoro-anilino)-6-methyl-benzothiophene-3-carboxylate CAS Name: 2-(2-amino-5-fluoroanilino)-6-methyl-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-5-fluoroanilino)-6-methyl-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-amino-5-fluoro-anilino)-6-methyl-benzothiophene-3-carboxylic acid ethyl ester Formula: C18H17FN2O2S MolecularWeight: 344.403183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O2S/c1-3-23-18(22)16-12-6-4-10(2)8-15(12)24-17(16)21-14-9-11(19)5-7-13(14)20/h4-9,21H,3,20H2,1-2H3