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

Systemtic Name: ethyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-6-nitro-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-nitro-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=N\S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H17N3O6S2/c1-3-27-17(22)11-20-15-9-6-13(21(23)24)10-16(15)28-18(20)19-29(25,26)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3/b19-18-