methyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfonylacetyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]sulfonylacetyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H31N3O7S2 MolecularWeight: 525.63814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CC(CC(C3)C)C)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CC(CC(C3)C)C)S2)CC(=O)OC

InChI

InChI=1S/C23H31N3O7S2/c1-5-33-17-6-7-18-19(9-17)34-23(26(18)12-22(29)32-4)24-20(27)13-35(30,31)14-21(28)25-10-15(2)8-16(3)11-25/h6-7,9,15-16H,5,8,10-14H2,1-4H3