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

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(Z)-2-benzamido-3-(3-pyridyl)acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C35H34N4O5S MolecularWeight: 622.73326

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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=CN=CC=C3)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=CN=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H34N4O5S/c1-3-4-20-44-35(43)27-15-17-28(18-16-27)37-32(40)24(2)45-30-14-8-13-29(22-30)38-34(42)31(21-25-10-9-19-36-23-25)39-33(41)26-11-6-5-7-12-26/h5-19,21-24H,3-4,20H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)/b31-21-