methyl 2-[2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(2-keto-2-pyrrolidino-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O6S2/c1-27-17(24)10-21-13-6-2-3-7-14(13)28-18(21)19-15(22)11-29(25,26)12-16(23)20-8-4-5-9-20/h2-3,6-7H,4-5,8-12H2,1H3