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

Systemtic Name: ethyl 2-[2-[2-(4-ethylsulfanylphenyl)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-ethylsulfanylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[4-(ethylthio)phenyl]-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-ethylsulfanylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[4-(ethylthio)phenyl]acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S2/c1-3-29-20(26)13-23-17-10-7-15(24(27)28)12-18(17)31-21(23)22-19(25)11-14-5-8-16(9-6-14)30-4-2/h5-10,12H,3-4,11,13H2,1-2H3