4-[2-fluoranyl-4-[5-(isothiocyanatomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-fluoranyl-4-[5-(isothiocyanatomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-fluoro-4-[5-(isothiocyanatomethyl)-2-oxo-oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-fluoro-4-[5-(isothiocyanatomethyl)-2-oxo-3-oxazolidinyl]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-fluoro-4-[5-(isothiocyanatomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-fluoro-4-[5-(isothiocyanatomethyl)-2-keto-oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid Formula: C16H17FN4O4S MolecularWeight: 380.393983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)N3CC(OC3=O)CN=C=S)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)N3CC(OC3=O)CN=C=S)F)C(=O)O

InChI

InChI=1S/C16H17FN4O4S/c17-13-7-11(21-9-12(8-18-10-26)25-16(21)24)1-2-14(13)19-3-5-20(6-4-19)15(22)23/h1-2,7,12H,3-6,8-9H2,(H,22,23)