O-methyl 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-methyl 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-methyl 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-methyl ester IUPAC Name: O-methyl 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-methyl ester Formula: C17H20FN3O4S MolecularWeight: 381.421803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O4S/c1-23-16(26)19-7-12-8-21(17(22)25-12)11-5-13(18)15-14(6-11)24-9-10-3-2-4-20(10)15/h5-6,10,12H,2-4,7-9H2,1H3,(H,19,26)/t10-,12-/m0/s1