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

Systemtic Name: methyl 2-[5-nitro-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H25N3O8S MolecularWeight: 503.5249

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O8S/c1-5-32-17-10-14(11-18(33-6-2)21(17)34-7-3)22(28)24-23-25(13-20(27)31-4)16-12-15(26(29)30)8-9-19(16)35-23/h8-12H,5-7,13H2,1-4H3