[2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-yl] ethanoate

Systemtic Name: [2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-yl] ethanoate Openeye Name: [2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-yl] acetate CAS Name: acetic acid [2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-yl] acetate Traditional Name: acetic acid [2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-yl] ester Formula: C20H22NO5PS MolecularWeight: 419.431141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C)OCC

InChI

InChI=1S/C20H22NO5PS/c1-4-24-27(23,25-5-2)13-15-6-8-16(9-7-15)20-21-18-11-10-17(26-14(3)22)12-19(18)28-20/h6-12H,4-5,13H2,1-3H3