[(Z)-(1-azanyl-2-thiomorpholin-4-ium-4-yl-ethylidene)amino] 2-fluoranylbenzoate

Systemtic Name: [(Z)-(1-azanyl-2-thiomorpholin-4-ium-4-yl-ethylidene)amino] 2-fluoranylbenzoate Openeye Name: [(Z)-(1-amino-2-thiomorpholin-4-ium-4-yl-ethylidene)amino] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [(Z)-[1-amino-2-(4-thiomorpholin-4-iumyl)ethylidene]amino] ester IUPAC Name: [(Z)-(1-amino-2-thiomorpholin-4-ium-4-ylethylidene)amino] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [(Z)-(1-amino-2-thiomorpholin-4-ium-4-yl-ethylidene)amino] ester Formula: C13H17FN3O2S+ MolecularWeight: 298.356383

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(=NOC(=O)C2=CC=CC=C2F)N

Isomeric SMILES

C1CSCC[NH+]1C/C(=N/OC(=O)C2=CC=CC=C2F)/N

InChI

InChI=1S/C13H16FN3O2S/c14-11-4-2-1-3-10(11)13(18)19-16-12(15)9-17-5-7-20-8-6-17/h1-4H,5-9H2,(H2,15,16)/p+1