3-[3-fluoranyl-4-(1,4-thiazepan-4-yl)phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one

Systemtic Name: 3-[3-fluoranyl-4-(1,4-thiazepan-4-yl)phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one Openeye Name: 3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-5-(isothiocyanatomethyl)oxazolidin-2-one CAS Name: 3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-5-(isothiocyanatomethyl)-2-oxazolidinone IUPAC Name: 3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one Traditional Name: 3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-5-(isothiocyanatomethyl)oxazolidin-2-one Formula: C16H18FN3O2S2 MolecularWeight: 367.461423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1)C2=C(C=C(C=C2)N3CC(OC3=O)CN=C=S)F

Isomeric SMILES

C1CN(CCSC1)C2=C(C=C(C=C2)N3CC(OC3=O)CN=C=S)F

InChI

InChI=1S/C16H18FN3O2S2/c17-14-8-12(20-10-13(9-18-11-23)22-16(20)21)2-3-15(14)19-4-1-6-24-7-5-19/h2-3,8,13H,1,4-7,9-10H2