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

Systemtic Name: ethyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21N3O8S2 MolecularWeight: 507.53674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8S2/c1-3-32-20(26)13-23-17-9-4-14(24(27)28)12-18(17)33-21(23)22-19(25)10-11-34(29,30)16-7-5-15(31-2)6-8-16/h4-9,12H,3,10-11,13H2,1-2H3