4-[2-(1,3-benzothiazol-2-ylamino)-1-diethoxyphosphoryl-ethyl]-2-methoxy-6-methyl-phenol

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylamino)-1-diethoxyphosphoryl-ethyl]-2-methoxy-6-methyl-phenol Openeye Name: 4-[2-(1,3-benzothiazol-2-ylamino)-1-diethoxyphosphoryl-ethyl]-2-methoxy-6-methyl-phenol CAS Name: 4-[2-(1,3-benzothiazol-2-ylamino)-1-diethoxyphosphorylethyl]-2-methoxy-6-methylphenol IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylamino)-1-diethoxyphosphorylethyl]-2-methoxy-6-methylphenol Traditional Name: 4-[2-(1,3-benzothiazol-2-ylamino)-1-diethoxyphosphoryl-ethyl]-2-methoxy-6-methyl-phenol Formula: C21H27N2O5PS MolecularWeight: 450.488241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CNC1=NC2=CC=CC=C2S1)C3=CC(=C(C(=C3)OC)O)C)OCC

Isomeric SMILES

CCOP(=O)(C(CNC1=NC2=CC=CC=C2S1)C3=CC(=C(C(=C3)OC)O)C)OCC

InChI

InChI=1S/C21H27N2O5PS/c1-5-27-29(25,28-6-2)18(15-11-14(3)20(24)17(12-15)26-4)13-22-21-23-16-9-7-8-10-19(16)30-21/h7-12,18,24H,5-6,13H2,1-4H3,(H,22,23)