N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-ethanamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-ethanamide Openeye Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonyl-acetamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylacetamide IUPAC Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetamide Traditional Name: 2-(2-keto-2-pyrrolidino-ethyl)sulfonyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3)S2)CC#C

InChI

InChI=1S/C19H21N3O5S2/c1-3-8-22-15-7-6-14(27-2)11-16(15)28-19(22)20-17(23)12-29(25,26)13-18(24)21-9-4-5-10-21/h1,6-7,11H,4-5,8-10,12-13H2,2H3