ethyl 2-[5,6-dimethyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S2/c1-4-31-23(28)15-26-20-13-17(2)18(3)14-21(20)32-24(26)25-22(27)11-8-12-33(29,30)16-19-9-6-5-7-10-19/h5-7,9-10,13-14H,4,8,11-12,15-16H2,1-3H3