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

Systemtic Name: ethyl 2-[(2Z)-6-nitro-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S2/c1-2-26-16(21)11-19-14-9-8-12(20(22)23)10-15(14)27-17(19)18-28(24,25)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3/b18-17-