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

Systemtic Name: methyl 2-[5,6-dimethyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C23H26N2O5S2/c1-16-12-19-20(13-17(16)2)31-23(25(19)14-22(27)30-3)24-21(26)10-7-11-32(28,29)15-18-8-5-4-6-9-18/h4-6,8-9,12-13H,7,10-11,14-15H2,1-3H3