(Z)-4-(2-methylpropanoyloxy)-3-(4-methylsulfanylphenyl)-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-4-(2-methylpropanoyloxy)-3-(4-methylsulfanylphenyl)-2-phenyl-but-2-enoic acid Openeye Name: (Z)-4-(2-methylpropanoyloxy)-3-(4-methylsulfanylphenyl)-2-phenyl-but-2-enoic acid CAS Name: (Z)-4-(2-methyl-1-oxopropoxy)-3-[4-(methylthio)phenyl]-2-phenyl-2-butenoic acid IUPAC Name: (Z)-4-(2-methylpropanoyloxy)-3-(4-methylsulfanylphenyl)-2-phenylbut-2-enoic acid Traditional Name: (Z)-4-isobutyryloxy-3-[4-(methylthio)phenyl]-2-phenyl-but-2-enoic acid Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC(=C(C1=CC=CC=C1)C(=O)O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)C(=O)OC/C(=C(/C1=CC=CC=C1)\C(=O)O)/C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H22O4S/c1-14(2)21(24)25-13-18(15-9-11-17(26-3)12-10-15)19(20(22)23)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,22,23)/b19-18+