methyl 2-[2-[3-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(E)-2-benzamido-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-[[(E)-2-benzamido-3-phenyl-acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C33H29N3O5S MolecularWeight: 579.66546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C(=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)/C(=C\C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H29N3O5S/c1-22(30(37)35-28-19-10-9-18-27(28)33(40)41-2)42-26-17-11-16-25(21-26)34-32(39)29(20-23-12-5-3-6-13-23)36-31(38)24-14-7-4-8-15-24/h3-22H,1-2H3,(H,34,39)(H,35,37)(H,36,38)/b29-20+