ethyl 2-[5-nitro-2-[2-(4-propan-2-ylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-nitro-2-[2-(4-propan-2-ylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-isopropylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[1-oxo-2-(4-propan-2-ylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-nitro-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-(2-p-cumenylacetyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H23N3O5S/c1-4-30-21(27)13-24-18-12-17(25(28)29)9-10-19(18)31-22(24)23-20(26)11-15-5-7-16(8-6-15)14(2)3/h5-10,12,14H,4,11,13H2,1-3H3