methyl (E)-2-methylidene-4-[(S)-(4-methylphenyl)sulfinyl]-5-prop-2-enyl-non-4-enoate

Systemtic Name: methyl (E)-2-methylidene-4-[(S)-(4-methylphenyl)sulfinyl]-5-prop-2-enyl-non-4-enoate Openeye Name: methyl (E)-5-allyl-2-methylene-4-[(S)-p-tolylsulfinyl]non-4-enoate CAS Name: (E)-2-methylene-4-[(S)-(4-methylphenyl)sulfinyl]-5-prop-2-enyl-4-nonenoic acid methyl ester IUPAC Name: methyl (E)-2-methylidene-4-[(S)-(4-methylphenyl)sulfinyl]-5-prop-2-enylnon-4-enoate Traditional Name: (4E)-5-butyl-2-methylene-4-[(S)-p-tolylsulfinyl]octa-4,7-dienoic acid methyl ester Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(CC(=C)C(=O)OC)S(=O)C1=CC=C(C=C1)C)CC=C

Isomeric SMILES

CCCC/C(=C(/CC(=C)C(=O)OC)\[S@@](=O)C1=CC=C(C=C1)C)/CC=C

InChI

InChI=1S/C21H28O3S/c1-6-8-10-18(9-7-2)20(15-17(4)21(22)24-5)25(23)19-13-11-16(3)12-14-19/h7,11-14H,2,4,6,8-10,15H2,1,3,5H3/b20-18-/t25-/m0/s1