2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole Openeye Name: 2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole CAS Name: 2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole Traditional Name: 2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole Formula: C16H16NO3PS MolecularWeight: 333.341901

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C16H16NO3PS/c1-19-21(18,20-2)11-12-7-9-13(10-8-12)16-17-14-5-3-4-6-15(14)22-16/h3-10H,11H2,1-2H3