methyl 3-ethyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[2-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-[2-keto-2-(3-methylpiperidino)ethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC(C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H27N3O6S2/c1-4-24-16-8-7-15(20(27)30-3)10-17(16)31-21(24)22-18(25)12-32(28,29)13-19(26)23-9-5-6-14(2)11-23/h7-8,10,14H,4-6,9,11-13H2,1-3H3