ethyl 2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]sulfonylacetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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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)N3CC(CC(C3)C)C)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CC(CC(C3)C)C)S2)CC#C

InChI

InChI=1S/C24H29N3O6S2/c1-5-9-27-19-8-7-18(23(30)33-6-2)11-20(19)34-24(27)25-21(28)14-35(31,32)15-22(29)26-12-16(3)10-17(4)13-26/h1,7-8,11,16-17H,6,9-10,12-15H2,2-4H3