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

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(Z)-2-benzamido-3-(3-pyridyl)acryloyl]amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C36H36N4O5S MolecularWeight: 636.75984

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H36N4O5S/c1-3-5-21-45-36(44)27-16-18-28(19-17-27)38-35(43)32(4-2)46-30-15-9-14-29(23-30)39-34(42)31(22-25-11-10-20-37-24-25)40-33(41)26-12-7-6-8-13-26/h6-20,22-24,32H,3-5,21H2,1-2H3,(H,38,43)(H,39,42)(H,40,41)/b31-22-