methyl (E)-3-(4-methylphenyl)sulfinyl-4-(phenylmethylsulfanyl)but-2-enoate

Systemtic Name: methyl (E)-3-(4-methylphenyl)sulfinyl-4-(phenylmethylsulfanyl)but-2-enoate Openeye Name: methyl (E)-4-benzylsulfanyl-3-(p-tolylsulfinyl)but-2-enoate CAS Name: (E)-3-(4-methylphenyl)sulfinyl-4-(phenylmethylthio)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-benzylsulfanyl-3-(4-methylphenyl)sulfinylbut-2-enoate Traditional Name: (E)-4-(benzylthio)-3-(p-tolylsulfinyl)but-2-enoic acid methyl ester Formula: C19H20O3S2 MolecularWeight: 360.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(=CC(=O)OC)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)/C(=C/C(=O)OC)/CSCC2=CC=CC=C2

InChI

InChI=1S/C19H20O3S2/c1-15-8-10-17(11-9-15)24(21)18(12-19(20)22-2)14-23-13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3/b18-12+