2-[3-(dibutoxyphosphorylmethyl)phenyl]-1,3-benzothiazole

Systemtic Name: 2-[3-(dibutoxyphosphorylmethyl)phenyl]-1,3-benzothiazole Openeye Name: 2-[3-(dibutoxyphosphorylmethyl)phenyl]-1,3-benzothiazole CAS Name: 2-[3-(dibutoxyphosphorylmethyl)phenyl]-1,3-benzothiazole IUPAC Name: 2-[3-(dibutoxyphosphorylmethyl)phenyl]-1,3-benzothiazole Traditional Name: 2-[3-(dibutoxyphosphorylmethyl)phenyl]-1,3-benzothiazole Formula: C22H28NO3PS MolecularWeight: 417.501381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(CC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCC

Isomeric SMILES

CCCCOP(=O)(CC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCC

InChI

InChI=1S/C22H28NO3PS/c1-3-5-14-25-27(24,26-15-6-4-2)17-18-10-9-11-19(16-18)22-23-20-12-7-8-13-21(20)28-22/h7-13,16H,3-6,14-15,17H2,1-2H3