ethyl 2-(2-cyclohexylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-cyclohexylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[2-(cyclohexanecarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[cyclohexyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(cyclohexanecarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(cyclohexanecarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCC3

InChI

InChI=1S/C18H21N3O5S/c1-2-26-16(22)11-20-14-9-8-13(21(24)25)10-15(14)27-18(20)19-17(23)12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3