ethyl 2-[(8-fluoranylquinolin-4-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(8-fluoranylquinolin-4-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(8-fluoro-4-quinolyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(8-fluoro-4-quinolinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(8-fluoroquinolin-4-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(8-fluoro-4-quinolyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C4C=CC=C(C4=NC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C4C=CC=C(C4=NC=C3)F

InChI

InChI=1S/C20H19FN2O2S/c1-2-25-20(24)17-13-6-3-4-9-16(13)26-19(17)23-15-10-11-22-18-12(15)7-5-8-14(18)21/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,22,23)