methyl (2S)-2-[(2-diethoxyphosphoryl-2-fluoranyl-ethanethioyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-diethoxyphosphoryl-2-fluoranyl-ethanethioyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-diethoxyphosphoryl-2-fluoro-ethanethioyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-diethoxyphosphoryl-2-fluoro-1-sulfanylideneethyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-diethoxyphosphoryl-2-fluoroethanethioyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-diethoxyphosphoryl-2-fluoro-thioacetyl)amino]-3-phenyl-propionic acid methyl ester Formula: C16H23FNO5PS MolecularWeight: 391.394684

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=S)NC(CC1=CC=CC=C1)C(=O)OC)F)OCC

Isomeric SMILES

CCOP(=O)(C(C(=S)N[C@@H](CC1=CC=CC=C1)C(=O)OC)F)OCC

InChI

InChI=1S/C16H23FNO5PS/c1-4-22-24(20,23-5-2)14(17)15(25)18-13(16(19)21-3)11-12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3,(H,18,25)/t13-,14?/m0/s1