ethyl 2-[5,6-dimethyl-2-(3-nitro-4-piperidin-1-yl-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethyl-2-(3-nitro-4-piperidin-1-yl-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethyl-2-[3-nitro-4-(1-piperidyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethyl-2-(3-nitro-4-piperidin-1-ylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethyl-2-(3-nitro-4-piperidino-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O5S/c1-4-34-23(30)15-28-21-12-16(2)17(3)13-22(21)35-25(28)26-24(31)18-8-9-19(20(14-18)29(32)33)27-10-6-5-7-11-27/h8-9,12-14H,4-7,10-11,15H2,1-3H3