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

Systemtic Name: ethyl 2-[2-[4-(4-methylphenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-methylphenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O7S2 MolecularWeight: 505.56392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7S2/c1-3-32-21(27)14-24-18-11-8-16(25(28)29)13-19(18)33-22(24)23-20(26)5-4-12-34(30,31)17-9-6-15(2)7-10-17/h6-11,13H,3-5,12,14H2,1-2H3