[(2R)-3-[(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-phenylmethoxycarbonyl-amino]-2-oxidanyl-propyl] butanoate

Systemtic Name: [(2R)-3-[(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-phenylmethoxycarbonyl-amino]-2-oxidanyl-propyl] butanoate Openeye Name: [(2R)-3-(N-benzyloxycarbonyl-3-fluoro-4-thiomorpholino-anilino)-2-hydroxy-propyl] butanoate CAS Name: butanoic acid [(2R)-3-(3-fluoro-N-phenylmethoxycarbonyl-4-thiomorpholin-4-ylanilino)-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-(3-fluoro-N-phenylmethoxycarbonyl-4-thiomorpholin-4-ylanilino)-2-hydroxypropyl] butanoate Traditional Name: butyric acid [(2R)-3-(N-carbobenzoxy-3-fluoro-4-thiomorpholino-anilino)-2-hydroxy-propyl] ester Formula: C25H31FN2O5S MolecularWeight: 490.587443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(C1=CC(=C(C=C1)N2CCSCC2)F)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCC(=O)OC[C@@H](CN(C1=CC(=C(C=C1)N2CCSCC2)F)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H31FN2O5S/c1-2-6-24(30)32-18-21(29)16-28(25(31)33-17-19-7-4-3-5-8-19)20-9-10-23(22(26)15-20)27-11-13-34-14-12-27/h3-5,7-10,15,21,29H,2,6,11-14,16-18H2,1H3/t21-/m1/s1