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

Systemtic Name: ethyl 2-[2-[2-(4-methylsulfanylphenyl)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-methylsulfanylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[4-(methylthio)phenyl]-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-methylsulfanylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[4-(methylthio)phenyl]acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c1-3-28-19(25)12-22-16-9-6-14(23(26)27)11-17(16)30-20(22)21-18(24)10-13-4-7-15(29-2)8-5-13/h4-9,11H,3,10,12H2,1-2H3