ethyl 2-[4-fluoranyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H12FN3O5S2 MolecularWeight: 409.411983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-])F

InChI

InChI=1S/C16H12FN3O5S2/c1-2-25-13(21)8-19-14-9(17)4-3-5-10(14)27-16(19)18-15(22)11-6-7-12(26-11)20(23)24/h3-7H,2,8H2,1H3