methyl 3-azanyl-6-(ethylamino)-5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-(ethylamino)-5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-6-(ethylamino)-5-fluoro-benzothiophene-2-carboxylate CAS Name: 3-amino-6-(ethylamino)-5-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-(ethylamino)-5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-6-(ethylamino)-5-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C12H13FN2O2S MolecularWeight: 268.307223

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)SC(=C2N)C(=O)OC)F

Isomeric SMILES

CCNC1=C(C=C2C(=C1)SC(=C2N)C(=O)OC)F

InChI

InChI=1S/C12H13FN2O2S/c1-3-15-8-5-9-6(4-7(8)13)10(14)11(18-9)12(16)17-2/h4-5,15H,3,14H2,1-2H3