propan-2-yl 2-methyl-3-phenylsulfanyl-propanoate

Systemtic Name: propan-2-yl 2-methyl-3-phenylsulfanyl-propanoate Openeye Name: isopropyl 2-methyl-3-phenylsulfanyl-propanoate CAS Name: 2-methyl-3-(phenylthio)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-3-phenylsulfanylpropanoate Traditional Name: 2-methyl-3-(phenylthio)propionic acid isopropyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-10(2)15-13(14)11(3)9-16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3