2-[2-[methylsulfanyl(phenyl)methyl]-1,3-dithiolan-4-yl]ethyl 2-methylprop-2-enoate

Systemtic Name: 2-[2-[methylsulfanyl(phenyl)methyl]-1,3-dithiolan-4-yl]ethyl 2-methylprop-2-enoate Openeye Name: 2-[2-[methylsulfanyl(phenyl)methyl]-1,3-dithiolan-4-yl]ethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-[2-[(methylthio)-phenylmethyl]-1,3-dithiolan-4-yl]ethyl ester IUPAC Name: 2-[2-[methylsulfanyl(phenyl)methyl]-1,3-dithiolan-4-yl]ethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-[2-[(methylthio)-phenyl-methyl]-1,3-dithiolan-4-yl]ethyl ester Formula: C17H22O2S3 MolecularWeight: 354.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCC1CSC(S1)C(C2=CC=CC=C2)SC

Isomeric SMILES

CC(=C)C(=O)OCCC1CSC(S1)C(C2=CC=CC=C2)SC

InChI

InChI=1S/C17H22O2S3/c1-12(2)16(18)19-10-9-14-11-21-17(22-14)15(20-3)13-7-5-4-6-8-13/h4-8,14-15,17H,1,9-11H2,2-3H3