2-[[2-methoxy-5-[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]benzyl]thio]acetic acid Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)CSCC(=O)O

InChI

InChI=1S/C27H23N3O4S/c1-34-25-12-10-19(14-22(25)17-35-18-26(32)33)24(31)11-9-21-16-30(23-7-3-2-4-8-23)29-27(21)20-6-5-13-28-15-20/h2-16H,17-18H2,1H3,(H,32,33)/b11-9+