[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C20H19NO3S/c22-18(13-14-25-17-9-5-2-6-10-17)24-19(15-7-3-1-4-8-15)20(23)21-16-11-12-16/h1-10,13-14,16,19H,11-12H2,(H,21,23)/b14-13+/t19-/m0/s1