ethyl 2-[2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-chlorophenyl)thio]-1-oxopropyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-[(4-chlorophenyl)thio]propanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O5S2/c1-2-29-19(26)12-23-16-11-14(24(27)28)5-8-17(16)31-20(23)22-18(25)9-10-30-15-6-3-13(21)4-7-15/h3-8,11H,2,9-10,12H2,1H3