butyl 4-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)acryloyl]amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C42H39N3O6S MolecularWeight: 713.84056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C(=CC4=CC=CC=C4OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CC=CC=C4OC)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C42H39N3O6S/c1-3-4-27-51-42(49)31-19-21-33(22-20-31)44-41(48)38(29-13-7-5-8-14-29)52-35-25-23-34(24-26-35)43-40(47)36(28-32-17-11-12-18-37(32)50-2)45-39(46)30-15-9-6-10-16-30/h5-26,28,38H,3-4,27H2,1-2H3,(H,43,47)(H,44,48)(H,45,46)/b36-28-