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

Systemtic Name: N-[(R)-diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[(R)-diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[(R)-diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[(R)-diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [(R)-diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C28H25N2O4PS MolecularWeight: 516.547861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(C3=CC=C(C=C3)OC)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N[C@@H](C3=CC=C(C=C3)OC)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H25N2O4PS/c1-20-13-18-25-26(19-20)36-28(29-25)30-27(21-14-16-22(32-2)17-15-21)35(31,33-23-9-5-3-6-10-23)34-24-11-7-4-8-12-24/h3-19,27H,1-2H3,(H,29,30)/t27-/m1/s1