ethyl 2-[2-[2-(4-ethylphenyl)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-ethylphenyl)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-ethylphenyl)-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C21H21N3O5S/c1-3-14-5-7-15(8-6-14)11-19(25)22-21-23(13-20(26)29-4-2)17-10-9-16(24(27)28)12-18(17)30-21/h5-10,12H,3-4,11,13H2,1-2H3