methyl 3-methyl-2-(phenylmethylsulfanyl)but-2-enoate

Systemtic Name: methyl 3-methyl-2-(phenylmethylsulfanyl)but-2-enoate Openeye Name: methyl 2-benzylsulfanyl-3-methyl-but-2-enoate CAS Name: 3-methyl-2-(phenylmethylthio)-2-butenoic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-3-methylbut-2-enoate Traditional Name: 2-(benzylthio)-3-methyl-but-2-enoic acid methyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)SCC1=CC=CC=C1)C

Isomeric SMILES

CC(=C(C(=O)OC)SCC1=CC=CC=C1)C

InChI

InChI=1S/C13H16O2S/c1-10(2)12(13(14)15-3)16-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3