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

Systemtic Name: ethyl 2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S2/c1-3-10-25-17-9-8-16(21(28)31-4-2)13-18(17)32-22(25)23-19(26)14-33(29,30)15-20(27)24-11-6-5-7-12-24/h1,8-9,13H,4-7,10-12,14-15H2,2H3