N-[(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H25N2O4PS MolecularWeight: 420.462261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)OC)NC2=NC3=C(S2)C=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)([C@H](C1=CC=C(C=C1)OC)NC2=NC3=C(S2)C=C(C=C3)C)OCC

InChI

InChI=1S/C20H25N2O4PS/c1-5-25-27(23,26-6-2)19(15-8-10-16(24-4)11-9-15)22-20-21-17-12-7-14(3)13-18(17)28-20/h7-13,19H,5-6H2,1-4H3,(H,21,22)/t19-/m1/s1