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

Systemtic Name: butyl 4-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O4S/c1-3-5-20-36-30(35)23-15-17-24(18-16-23)32-29(34)27(4-2)37-26-13-9-12-25(21-26)31-28(33)19-14-22-10-7-6-8-11-22/h6-19,21,27H,3-5,20H2,1-2H3,(H,31,33)(H,32,34)/b19-14+