ethyl 2-[4,7-dimethoxy-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,7-dimethoxy-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O7S2 MolecularWeight: 520.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C24H28N2O7S2/c1-4-33-21(28)15-26-22-18(31-2)12-13-19(32-3)23(22)34-24(26)25-20(27)11-8-14-35(29,30)16-17-9-6-5-7-10-17/h5-7,9-10,12-13H,4,8,11,14-16H2,1-3H3