ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-(4-phenylphenyl)prop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C40H35N3O5S MolecularWeight: 669.788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C(=CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)/C(=C/C3=CC=C(C=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H35N3O5S/c1-3-48-40(47)32-18-20-33(21-19-32)41-37(44)27(2)49-35-24-22-34(23-25-35)42-39(46)36(43-38(45)31-12-8-5-9-13-31)26-28-14-16-30(17-15-28)29-10-6-4-7-11-29/h4-27H,3H2,1-2H3,(H,41,44)(H,42,46)(H,43,45)/b36-26-