S-pyrrolidin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carbothioate

Systemtic Name: S-pyrrolidin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carbothioate Openeye Name: S-pyrrolidin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]piperazine-1-carbothioate CAS Name: 4-[4-[5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarbothioic acid S-(2-pyrrolidinyl) ester IUPAC Name: S-pyrrolidin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbothioate Traditional Name: 4-[4-[5-(acetamidomethyl)-2-keto-oxazolidin-3-yl]-2-fluoro-phenyl]piperazine-1-carbothioic acid S-pyrrolidin-2-yl ester Formula: C21H28FN5O4S MolecularWeight: 465.541523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SC4CCCN4)F

Isomeric SMILES

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SC4CCCN4)F

InChI

InChI=1S/C21H28FN5O4S/c1-14(28)24-12-16-13-27(20(29)31-16)15-4-5-18(17(22)11-15)25-7-9-26(10-8-25)21(30)32-19-3-2-6-23-19/h4-5,11,16,19,23H,2-3,6-10,12-13H2,1H3,(H,24,28)