[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methyl-butanoate; diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methyl-butanoate; diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methyl-butanoate; diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester; 2-(dimethoxyphosphinothioylthio)butanedioic acid diethyl ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate; diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester; 2-(dimethoxythiophosphorylthio)succinic acid diethyl ester Formula: C35H41ClNO9PS2 MolecularWeight: 750.258101

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC.CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC.CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO3.C10H19O6PS2/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21;1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h3-15,17,23-24H,1-2H3;8H,5-7H2,1-4H3