O-ethyl N-[[(5S)-3-[(3aS)-9-fluoranyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate

Systemtic Name: O-ethyl N-[[(5S)-3-[(3aS)-9-fluoranyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate Openeye Name: O-ethyl N-[[(5S)-3-[(3aS)-9-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-oxazolidin-5-yl]methyl]carbamothioate CAS Name: N-[[(5S)-3-[(3aS)-9-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-5-oxazolidinyl]methyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[[(5S)-3-[(3aS)-9-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate Traditional Name: N-[[(5S)-3-[(3aS)-9-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl]-2-keto-oxazolidin-5-yl]methyl]thiocarbamic acid O-ethyl ester Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NCC1CN(C(=O)O1)C2=CC3=C(C(=C2)F)N4CCCC4CO3

Isomeric SMILES

CCOC(=S)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C(=C2)F)N4CCC[C@H]4CO3

InChI

InChI=1S/C18H22FN3O4S/c1-2-24-17(27)20-8-13-9-22(18(23)26-13)12-6-14(19)16-15(7-12)25-10-11-4-3-5-21(11)16/h6-7,11,13H,2-5,8-10H2,1H3,(H,20,27)/t11-,13-/m0/s1