ethyl 2-(2-ethanoylsulfonylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-ethanoylsulfonylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2-acetylsulfonyl-1-oxoethyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetylsulfonylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-acetylsulfonylacetyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S2/c1-4-8-19-13-7-6-12(16(22)25-5-2)9-14(13)26-17(19)18-15(21)10-27(23,24)11(3)20/h1,6-7,9H,5,8,10H2,2-3H3