[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C18H17FN2O4S MolecularWeight: 376.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=CC=CC=C2C(=O)OCC(=O)NCC(=O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=CC=CC=C2C(=O)OCC(=O)NCC(=O)N)F

InChI

InChI=1S/C18H17FN2O4S/c19-14-7-3-1-5-12(14)11-26-15-8-4-2-6-13(15)18(24)25-10-17(23)21-9-16(20)22/h1-8H,9-11H2,(H2,20,22)(H,21,23)