butyl 4-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C28H28N2O4S/c1-2-3-19-34-28(33)22-10-12-23(13-11-22)30-27(32)20-35-25-16-14-24(15-17-25)29-26(31)18-9-21-7-5-4-6-8-21/h4-18H,2-3,19-20H2,1H3,(H,29,31)(H,30,32)/b18-9+