methyl 2-[5,6-dimethoxy-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethoxy-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(benzenesulfonyl)-1-oxobutyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-besylbutanoylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O7S2 MolecularWeight: 492.56516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC)OC

InChI

InChI=1S/C22H24N2O7S2/c1-29-17-12-16-19(13-18(17)30-2)32-22(24(16)14-21(26)31-3)23-20(25)10-7-11-33(27,28)15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3