ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[(cyanoamino)-[3-(trifluoromethyl)phenyl]iminomethyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[N-cyano-N'-[3-(trifluoromethyl)phenyl]amidino]thio]-3-keto-butyric acid ethyl ester Formula: C15H14F3N3O3S MolecularWeight: 373.35017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14F3N3O3S/c1-2-24-13(23)7-12(22)8-25-14(20-9-19)21-11-5-3-4-10(6-11)15(16,17)18/h3-6H,2,7-8H2,1H3,(H,20,21)