ethyl 2-[5,6-dimethoxy-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(benzenesulfonyl)-1-oxopropyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-besylpropanoylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O7S2 MolecularWeight: 492.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C22H24N2O7S2/c1-4-31-21(26)14-24-16-12-17(29-2)18(30-3)13-19(16)32-22(24)23-20(25)10-11-33(27,28)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11,14H2,1-3H3