ethyl 2-[(4-fluoranyl-2-nitro-phenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluoranyl-2-nitro-phenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(4-fluoro-2-nitro-anilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(4-fluoro-2-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-fluoro-2-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-fluoro-2-nitro-anilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H17FN2O4S MolecularWeight: 364.391283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O4S/c1-2-24-17(21)15-11-5-3-4-6-14(11)25-16(15)19-12-8-7-10(18)9-13(12)20(22)23/h7-9,19H,2-6H2,1H3