(Z)-3-methoxy-2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]prop-2-enoic acid

Systemtic Name: (Z)-3-methoxy-2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]prop-2-enoic acid Openeye Name: (Z)-3-methoxy-2-[3-methyl-2-(p-tolylmethylsulfanyl)phenyl]prop-2-enoic acid CAS Name: (Z)-3-methoxy-2-[3-methyl-2-[(4-methylphenyl)methylthio]phenyl]-2-propenoic acid IUPAC Name: (Z)-3-methoxy-2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]prop-2-enoic acid Traditional Name: (Z)-3-methoxy-2-[3-methyl-2-[(4-methylbenzyl)thio]phenyl]acrylic acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=CC=C2C)C(=COC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=CC=C2C)/C(=C/OC)/C(=O)O

InChI

InChI=1S/C19H20O3S/c1-13-7-9-15(10-8-13)12-23-18-14(2)5-4-6-16(18)17(11-22-3)19(20)21/h4-11H,12H2,1-3H3,(H,20,21)/b17-11-