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

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-9(12(17)15-13(14)18)19-11(16)7-8-20-10-5-3-2-4-6-10/h2-9H,1H3,(H3,14,15,17,18)/b8-7+/t9-/m0/s1