methyl 2-[2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[(2-keto-2-morpholino-ethyl)thio]acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H20N4O7S2 MolecularWeight: 468.504

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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)N3CCOCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCOCC3

InChI

InChI=1S/C18H20N4O7S2/c1-28-17(25)9-21-13-3-2-12(22(26)27)8-14(13)31-18(21)19-15(23)10-30-11-16(24)20-4-6-29-7-5-20/h2-3,8H,4-7,9-11H2,1H3