3-(2-methoxy-5-methyl-phenyl)carbonyl-4-(4-methylsulfanylphenyl)but-3-enoic acid

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)carbonyl-4-(4-methylsulfanylphenyl)but-3-enoic acid Openeye Name: 3-(2-methoxy-5-methyl-benzoyl)-4-(4-methylsulfanylphenyl)but-3-enoic acid CAS Name: 3-[(2-methoxy-5-methylphenyl)-oxomethyl]-4-[4-(methylthio)phenyl]-3-butenoic acid IUPAC Name: 3-(2-methoxy-5-methylbenzoyl)-4-(4-methylsulfanylphenyl)but-3-enoic acid Traditional Name: 3-(2-methoxy-5-methyl-benzoyl)-4-[4-(methylthio)phenyl]but-3-enoic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)C(=CC2=CC=C(C=C2)SC)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)C(=CC2=CC=C(C=C2)SC)CC(=O)O

InChI

InChI=1S/C20H20O4S/c1-13-4-9-18(24-2)17(10-13)20(23)15(12-19(21)22)11-14-5-7-16(25-3)8-6-14/h4-11H,12H2,1-3H3,(H,21,22)