methyl 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O4S/c1-18(25(30)28-23-11-7-6-10-22(23)26(31)32-2)33-21-15-13-20(14-16-21)27-24(29)17-12-19-8-4-3-5-9-19/h3-18H,1-2H3,(H,27,29)(H,28,30)/b17-12+