N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H23N2O5PS MolecularWeight: 434.445781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=NC4=C(S3)C=C(C=C4)C)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=NC4=C(S3)C=C(C=C4)C)OCC

InChI

InChI=1S/C20H23N2O5PS/c1-4-26-28(23,27-5-2)19(14-7-9-16-17(11-14)25-12-24-16)22-20-21-15-8-6-13(3)10-18(15)29-20/h6-11,19H,4-5,12H2,1-3H3,(H,21,22)