butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-(2-thienyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(Z)-2-benzamido-3-(2-thienyl)acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C34H33N3O5S2 MolecularWeight: 627.77292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C(=C/C3=CC=CS3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C34H33N3O5S2/c1-3-4-19-42-34(41)25-15-17-26(18-16-25)35-31(38)23(2)44-29-13-8-12-27(21-29)36-33(40)30(22-28-14-9-20-43-28)37-32(39)24-10-6-5-7-11-24/h5-18,20-23H,3-4,19H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)/b30-22-