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

Systemtic Name: methyl 2-methyl-2-(phenylsulfanylmethyl)but-3-enoate Openeye Name: methyl 2-methyl-2-(phenylsulfanylmethyl)but-3-enoate CAS Name: 2-methyl-2-[(phenylthio)methyl]-3-butenoic acid methyl ester IUPAC Name: methyl 2-methyl-2-(phenylsulfanylmethyl)but-3-enoate Traditional Name: 2-methyl-2-[(phenylthio)methyl]but-3-enoic acid methyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)(C=C)C(=O)OC

Isomeric SMILES

CC(CSC1=CC=CC=C1)(C=C)C(=O)OC

InChI

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