methyl 4-[N-cyano-N'-(4-fluorophenyl)carbamimidoyl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[N-cyano-N'-(4-fluorophenyl)carbamimidoyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[N-cyano-N'-(4-fluorophenyl)carbamimidoyl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[(cyanoamino)-(4-fluorophenyl)iminomethyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[N-cyano-N'-(4-fluorophenyl)carbamimidoyl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[N-cyano-N'-(4-fluorophenyl)amidino]thio]-3-keto-butyric acid methyl ester Formula: C13H12FN3O3S MolecularWeight: 309.316083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC(=NC1=CC=C(C=C1)F)NC#N

Isomeric SMILES

COC(=O)CC(=O)CSC(=NC1=CC=C(C=C1)F)NC#N

InChI

InChI=1S/C13H12FN3O3S/c1-20-12(19)6-11(18)7-21-13(16-8-15)17-10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,16,17)