ethyl 2-[[3,5-bis(fluoranyl)-2-nitro-phenyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3,5-bis(fluoranyl)-2-nitro-phenyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(3,5-difluoro-2-nitro-anilino)benzothiophene-3-carboxylate CAS Name: 2-(3,5-difluoro-2-nitroanilino)-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-difluoro-2-nitroanilino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(3,5-difluoro-2-nitro-anilino)benzothiophene-3-carboxylic acid ethyl ester Formula: C17H12F2N2O4S MolecularWeight: 378.349986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC3=CC(=CC(=C3[N+](=O)[O-])F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC3=CC(=CC(=C3[N+](=O)[O-])F)F

InChI

InChI=1S/C17H12F2N2O4S/c1-2-25-17(22)14-10-5-3-4-6-13(10)26-16(14)20-12-8-9(18)7-11(19)15(12)21(23)24/h3-8,20H,2H2,1H3