methyl 2-[6-nitro-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H22N4O6S2 MolecularWeight: 466.53118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCC3

InChI

InChI=1S/C19H22N4O6S2/c1-29-18(26)10-22-14-6-5-13(23(27)28)9-15(14)31-19(22)20-16(24)11-30-12-17(25)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10-12H2,1H3