[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H22FNO6S MolecularWeight: 375.412383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C16H22FNO6S/c1-4-5-8-25(21,22)18-11(2)16(20)24-10-14(19)12-6-7-15(23-3)13(17)9-12/h6-7,9,11,18H,4-5,8,10H2,1-3H3/t11-/m0/s1