methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-4-methyl-pentanoate

Systemtic Name: methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-4-methyl-pentanoate Openeye Name: methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-4-methyl-pentanoate CAS Name: 2-[[(diphenoxyphosphinothioylamino)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(diphenoxyphosphinothioylcarbamoylamino)-4-methylpentanoate Traditional Name: 2-(diphenoxythiophosphorylcarbamoylamino)-4-methyl-valeric acid methyl ester Formula: C20H25N2O5PS MolecularWeight: 436.461661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N2O5PS/c1-15(2)14-18(19(23)25-3)21-20(24)22-28(29,26-16-10-6-4-7-11-16)27-17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3,(H2,21,22,24,29)