3-[[2-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[2-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-[4-[[(Z)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[[4-[[(Z)-2-benzamido-3-(3-pyridyl)acryloyl]amino]phenyl]thio]-2-phenyl-acetyl]amino]-4-chloro-benzoic acid Formula: C36H27ClN4O5S MolecularWeight: 663.14138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)SC3=CC=C(C=C3)NC(=O)C(=CC4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CN=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H27ClN4O5S/c37-29-18-13-26(36(45)46)21-30(29)40-35(44)32(24-9-3-1-4-10-24)47-28-16-14-27(15-17-28)39-34(43)31(20-23-8-7-19-38-22-23)41-33(42)25-11-5-2-6-12-25/h1-22,32H,(H,39,43)(H,40,44)(H,41,42)(H,45,46)/b31-20-