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

Systemtic Name: methyl 2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(2-keto-2-pyrrolidino-ethyl)sulfonylacetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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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)N3CCCC3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3)S2)CC#C

InChI

InChI=1S/C20H21N3O6S2/c1-3-8-23-15-7-6-14(19(26)29-2)11-16(15)30-20(23)21-17(24)12-31(27,28)13-18(25)22-9-4-5-10-22/h1,6-7,11H,4-5,8-10,12-13H2,2H3