ethyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-bromothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H12BrN3O5S2 MolecularWeight: 470.31758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H12BrN3O5S2/c1-2-25-14(21)8-19-10-4-3-9(20(23)24)7-12(10)27-16(19)18-15(22)11-5-6-13(17)26-11/h3-7H,2,8H2,1H3