[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C21H21NO4S/c1-16(23)19(14-17-8-4-2-5-9-17)22-20(24)15-26-21(25)12-13-27-18-10-6-3-7-11-18/h2-13,19H,14-15H2,1H3,(H,22,24)/b13-12+/t19-/m0/s1