methyl (Z,4R,5S)-6-(methylamino)-5-methylsulfanyl-6-oxidanylidene-4-phenyl-hex-2-enoate

Systemtic Name: methyl (Z,4R,5S)-6-(methylamino)-5-methylsulfanyl-6-oxidanylidene-4-phenyl-hex-2-enoate Openeye Name: methyl (Z,4R,5S)-6-(methylamino)-5-methylsulfanyl-6-oxo-4-phenyl-hex-2-enoate CAS Name: (Z,4R,5S)-6-(methylamino)-5-(methylthio)-6-oxo-4-phenyl-2-hexenoic acid methyl ester IUPAC Name: methyl (Z,4R,5S)-6-(methylamino)-5-methylsulfanyl-6-oxo-4-phenylhex-2-enoate Traditional Name: (Z,4R,5S)-6-keto-6-(methylamino)-5-(methylthio)-4-phenyl-hex-2-enoic acid methyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C(C=CC(=O)OC)C1=CC=CC=C1)SC

Isomeric SMILES

CNC(=O)[C@H]([C@H](/C=C\C(=O)OC)C1=CC=CC=C1)SC

InChI

InChI=1S/C15H19NO3S/c1-16-15(18)14(20-3)12(9-10-13(17)19-2)11-7-5-4-6-8-11/h4-10,12,14H,1-3H3,(H,16,18)/b10-9-/t12-,14+/m1/s1