[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C22H22N2O5S/c1-16(25)23-19(14-17-8-4-2-5-9-17)22(28)29-15-21(27)24-20(26)12-13-30-18-10-6-3-7-11-18/h2-11,14H,12-13,15H2,1H3,(H,23,25)(H,24,26,27)/b19-14-