2-[[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-isopropyl-3-nitro-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO6S/c1-14(2)18-7-4-15(10-19(18)23(27)28)5-8-20(24)16-6-9-21(29-3)17(11-16)12-30-13-22(25)26/h4-11,14H,12-13H2,1-3H3,(H,25,26)/b8-5+