ethyl 2-[2-(4-ethylsulfonylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-ethylsulfonylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-ethylsulfonylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-ethylsulfonylphenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethylsulfonylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-esylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7S2/c1-3-30-18(24)12-22-16-11-14(23(26)27)7-10-17(16)31-20(22)21-19(25)13-5-8-15(9-6-13)32(28,29)4-2/h5-11H,3-4,12H2,1-2H3