methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-3,3-dimethyl-butanoate

Systemtic Name: methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-3,3-dimethyl-butanoate Openeye Name: methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-3,3-dimethyl-butanoate CAS Name: 2-[[(diphenoxyphosphinothioylamino)-oxomethyl]amino]-3,3-dimethylbutanoic acid methyl ester IUPAC Name: methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-3,3-dimethylbutanoate Traditional Name: 2-(diphenoxythiophosphorylcarbamoylamino)-3,3-dimethyl-butyric acid methyl ester Formula: C20H25N2O5PS MolecularWeight: 436.461661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)OC)NC(=O)NP(=S)(OC1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(C(=O)OC)NC(=O)NP(=S)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C20H25N2O5PS/c1-20(2,3)17(18(23)25-4)21-19(24)22-28(29,26-15-11-7-5-8-12-15)27-16-13-9-6-10-14-16/h5-14,17H,1-4H3,(H2,21,22,24,29)