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

Systemtic Name: butyl 4-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[[(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=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O4S/c1-2-3-18-34-28(33)22-13-15-23(16-14-22)29-27(32)20-35-25-11-7-10-24(19-25)30-26(31)17-12-21-8-5-4-6-9-21/h4-17,19H,2-3,18,20H2,1H3,(H,29,32)(H,30,31)/b17-12+