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

Systemtic Name: ethyl 4-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H26N2O4S/c1-3-33-27(32)21-13-15-22(16-14-21)29-26(31)19(2)34-24-11-7-10-23(18-24)28-25(30)17-12-20-8-5-4-6-9-20/h4-19H,3H2,1-2H3,(H,28,30)(H,29,31)/b17-12+