[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NCC=C)OC(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C15H17NO3S/c1-3-10-16-15(18)12(2)19-14(17)9-11-20-13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,16,18)/b11-9+/t12-/m0/s1