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

Systemtic Name: ethyl 2-[5,6-dimethyl-2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethyl-2-(4-morpholino-3-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethyl-2-(4-morpholin-4-yl-3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethyl-2-(4-morpholino-3-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O6S/c1-4-34-22(29)14-27-20-11-15(2)16(3)12-21(20)35-24(27)25-23(30)17-5-6-18(19(13-17)28(31)32)26-7-9-33-10-8-26/h5-6,11-13H,4,7-10,14H2,1-3H3