N-(dibutoxyphosphorylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(dibutoxyphosphorylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(dibutoxyphosphorylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(dibutoxyphosphorylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(dibutoxyphosphorylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(dibutoxyphosphorylmethyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C18H27N2O7PS MolecularWeight: 446.454941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(CNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)OCCCC

Isomeric SMILES

CCCCOP(=O)(CNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)OCCCC

InChI

InChI=1S/C18H27N2O7PS/c1-3-5-11-26-28(23,27-12-6-4-2)14-19-17(21)13-20-18(22)15-9-7-8-10-16(15)29(20,24)25/h7-10H,3-6,11-14H2,1-2H3,(H,19,21)