methyl 2-[5,6-dimethoxy-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethoxy-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-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)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC)OC

InChI

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