ethyl 2-[2-(3-methylsulfonylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3-methylsulfonylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-methylsulfonylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-methylsulfonylphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-methylsulfonylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-mesylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17N3O7S2 MolecularWeight: 463.48418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O7S2/c1-3-29-17(23)11-21-15-8-7-13(22(25)26)10-16(15)30-19(21)20-18(24)12-5-4-6-14(9-12)31(2,27)28/h4-10H,3,11H2,1-2H3