ethyl (E)-3-[[3-chloranyl-4-(trifluoromethyl)phenyl]methylsulfanylcarbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[3-chloranyl-4-(trifluoromethyl)phenyl]methylsulfanylcarbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[3-chloro-4-(trifluoromethyl)phenyl]methylsulfanylcarbonylamino]but-2-enoate CAS Name: (E)-3-[[[[3-chloro-4-(trifluoromethyl)phenyl]methylthio]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[3-chloro-4-(trifluoromethyl)phenyl]methylsulfanylcarbonylamino]but-2-enoate Traditional Name: (E)-3-[[[3-chloro-4-(trifluoromethyl)benzyl]thio]carbonylamino]but-2-enoic acid ethyl ester Formula: C15H15ClF3NO3S MolecularWeight: 381.79771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)SCC1=CC(=C(C=C1)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)SCC1=CC(=C(C=C1)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3NO3S/c1-3-23-13(21)6-9(2)20-14(22)24-8-10-4-5-11(12(16)7-10)15(17,18)19/h4-7H,3,8H2,1-2H3,(H,20,22)/b9-6+