ethyl 2-methyl-2-phenylsulfanyl-but-3-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C=C)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C)(C=C)SC1=CC=CC=C1

InChI

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