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

Systemtic Name: ethyl 2-[6-nitro-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[1-oxo-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(2-keto-2-pyrrolidino-ethyl)sulfonylacetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H22N4O8S2 MolecularWeight: 498.52998

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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)N3CCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

InChI

InChI=1S/C19H22N4O8S2/c1-2-31-18(26)10-22-14-6-5-13(23(27)28)9-15(14)32-19(22)20-16(24)11-33(29,30)12-17(25)21-7-3-4-8-21/h5-6,9H,2-4,7-8,10-12H2,1H3