methyl 4-[[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]amino]benzoate

Systemtic Name: methyl 4-[[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]amino]benzoate Openeye Name: methyl 4-[[diisopropoxyphosphoryl-(4-methylsulfanylphenyl)methyl]amino]benzoate CAS Name: 4-[[di(propan-2-yloxy)phosphoryl-[4-(methylthio)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]amino]benzoate Traditional Name: 4-[[diisopropoxyphosphoryl-[4-(methylthio)phenyl]methyl]amino]benzoic acid methyl ester Formula: C22H30NO5PS MolecularWeight: 451.516061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C(C1=CC=C(C=C1)SC)NC2=CC=C(C=C2)C(=O)OC)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(C(C1=CC=C(C=C1)SC)NC2=CC=C(C=C2)C(=O)OC)OC(C)C

InChI

InChI=1S/C22H30NO5PS/c1-15(2)27-29(25,28-16(3)4)21(17-9-13-20(30-6)14-10-17)23-19-11-7-18(8-12-19)22(24)26-5/h7-16,21,23H,1-6H3