methyl 2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-benzoate

Systemtic Name: methyl 2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-benzoate Openeye Name: methyl 2-(carbamimidoylsulfanylmethyl)-4-fluoro-benzoate CAS Name: 2-[(carbamimidoylthio)methyl]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-(carbamimidoylsulfanylmethyl)-4-fluorobenzoate Traditional Name: 2-[(amidinothio)methyl]-4-fluoro-benzoic acid methyl ester Formula: C10H11FN2O2S MolecularWeight: 242.269943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)F)CSC(=N)N

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)F)CSC(=N)N

InChI

InChI=1S/C10H11FN2O2S/c1-15-9(14)8-3-2-7(11)4-6(8)5-16-10(12)13/h2-4H,5H2,1H3,(H3,12,13)