ethyl 6-fluoranyl-3-(pyridin-4-ylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-fluoranyl-3-(pyridin-4-ylamino)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 6-fluoro-3-(4-pyridylamino)benzothiophene-2-carboxylate CAS Name: 6-fluoro-3-(pyridin-4-ylamino)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-3-(pyridin-4-ylamino)-1-benzothiophene-2-carboxylate Traditional Name: 6-fluoro-3-(4-pyridylamino)benzothiophene-2-carboxylic acid ethyl ester Formula: C16H13FN2O2S MolecularWeight: 316.350023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)F)NC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)F)NC3=CC=NC=C3

InChI

InChI=1S/C16H13FN2O2S/c1-2-21-16(20)15-14(19-11-5-7-18-8-6-11)12-4-3-10(17)9-13(12)22-15/h3-9H,2H2,1H3,(H,18,19)