methyl (Z)-3-azanyl-7-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]hept-2-enoate

Systemtic Name: methyl (Z)-3-azanyl-7-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]hept-2-enoate Openeye Name: methyl (Z)-3-amino-7-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]hept-2-enoate CAS Name: (Z)-3-amino-7-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]-2-heptenoic acid methyl ester IUPAC Name: methyl (Z)-3-amino-7-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]hept-2-enoate Traditional Name: (Z)-3-amino-7-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]hept-2-enoic acid methyl ester Formula: C16H20F3NO5S MolecularWeight: 395.39391

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CCCCOS(=O)(=O)C)N)C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

COC(=O)/C(=C(/CCCCOS(=O)(=O)C)\N)/C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C16H20F3NO5S/c1-24-15(21)14(11-6-8-12(9-7-11)16(17,18)19)13(20)5-3-4-10-25-26(2,22)23/h6-9H,3-5,10,20H2,1-2H3/b14-13-