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

Systemtic Name: N-[(R)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[(R)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[(R)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[(R)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [(R)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C25H27N2O4PS MolecularWeight: 482.531641

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=NC4=C(S3)C=C(C=C4)C)OCC

Isomeric SMILES

CCOP(=O)([C@H](C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=NC4=C(S3)C=C(C=C4)C)OCC

InChI

InChI=1S/C25H27N2O4PS/c1-4-29-32(28,30-5-2)24(27-25-26-22-15-14-18(3)16-23(22)33-25)19-10-9-13-21(17-19)31-20-11-7-6-8-12-20/h6-17,24H,4-5H2,1-3H3,(H,26,27)/t24-/m1/s1