methyl 2-[(2-diethoxyphosphoryl-2-phenylsulfanyl-ethanoyl)amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(2-diethoxyphosphoryl-2-phenylsulfanyl-ethanoyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[(2-diethoxyphosphoryl-2-phenylsulfanyl-acetyl)amino]-3-methyl-butanoate CAS Name: 2-[[2-diethoxyphosphoryl-1-oxo-2-(phenylthio)ethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2-diethoxyphosphoryl-2-phenylsulfanylacetyl)amino]-3-methylbutanoate Traditional Name: 2-[[2-diethoxyphosphoryl-2-(phenylthio)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H28NO6PS MolecularWeight: 417.456781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=O)NC(C(C)C)C(=O)OC)SC1=CC=CC=C1)OCC

Isomeric SMILES

CCOP(=O)(C(C(=O)NC(C(C)C)C(=O)OC)SC1=CC=CC=C1)OCC

InChI

InChI=1S/C18H28NO6PS/c1-6-24-26(22,25-7-2)18(27-14-11-9-8-10-12-14)16(20)19-15(13(3)4)17(21)23-5/h8-13,15,18H,6-7H2,1-5H3,(H,19,20)