ethyl 2-[5-nitro-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-nitro-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-nitro-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[oxo-(3,4,5-triethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-nitro-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H27N3O8S MolecularWeight: 517.55148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C24H27N3O8S/c1-5-32-18-11-15(12-19(33-6-2)22(18)35-8-4)23(29)25-24-26(14-21(28)34-7-3)17-13-16(27(30)31)9-10-20(17)36-24/h9-13H,5-8,14H2,1-4H3