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

Systemtic Name: methyl 2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]sulfonylethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(2-keto-2-piperidino-ethyl)sulfonylacetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3)S2)CC#C

InChI

InChI=1S/C21H23N3O6S2/c1-3-9-24-16-8-7-15(20(27)30-2)12-17(16)31-21(24)22-18(25)13-32(28,29)14-19(26)23-10-5-4-6-11-23/h1,7-8,12H,4-6,9-11,13-14H2,2H3