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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C28H28N2O4S/c1-3-25(27(32)30-22-16-14-21(15-17-22)28(33)34-4-2)35-24-12-8-11-23(19-24)29-26(31)18-13-20-9-6-5-7-10-20/h5-19,25H,3-4H2,1-2H3,(H,29,31)(H,30,32)/b18-13+