S-phenyl 3-(2-methyl-1,3-dioxolan-2-yl)propanethioate

Systemtic Name: S-phenyl 3-(2-methyl-1,3-dioxolan-2-yl)propanethioate Openeye Name: S-phenyl 3-(2-methyl-1,3-dioxolan-2-yl)propanethioate CAS Name: 3-(2-methyl-1,3-dioxolan-2-yl)propanethioic acid S-phenyl ester IUPAC Name: S-phenyl 3-(2-methyl-1,3-dioxolan-2-yl)propanethioate Traditional Name: 3-(2-methyl-1,3-dioxolan-2-yl)propanethioic acid S-phenyl ester Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)CCC(=O)SC2=CC=CC=C2

Isomeric SMILES

CC1(OCCO1)CCC(=O)SC2=CC=CC=C2

InChI

InChI=1S/C13H16O3S/c1-13(15-9-10-16-13)8-7-12(14)17-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3