tert-butyl 2-[2-(3-ethyl-5-methyl-2-oxidanylidene-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-(3-ethyl-5-methyl-2-oxidanylidene-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]ethanoate Openeye Name: tert-butyl 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetate CAS Name: 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetate Traditional Name: 2-[2-(3-ethyl-2-keto-5-methyl-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetic acid tert-butyl ester Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CN(CN(C1=O)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])CC(=O)OC(C)(C)C)C

Isomeric SMILES

CCN1CN(CN(C1=O)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H25N5O5S/c1-6-22-10-21(5)11-23(18(22)26)17-20-13-7-8-14(24(27)28)12(16(13)30-17)9-15(25)29-19(2,3)4/h7-8H,6,9-11H2,1-5H3