ethyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfonylacetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]sulfonylacetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H28N4O8S2 MolecularWeight: 540.60972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C22H28N4O8S2/c1-4-34-21(29)11-25-17-6-5-16(26(30)31)8-18(17)35-22(25)23-19(27)12-36(32,33)13-20(28)24-9-14(2)7-15(3)10-24/h5-6,8,14-15H,4,7,9-13H2,1-3H3