1,3-benzodioxol-5-yl (2R)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: 1,3-benzodioxol-5-yl (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid 1,3-benzodioxol-5-yl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16O4S/c1-11-3-6-14(7-4-11)22-12(2)17(18)21-13-5-8-15-16(9-13)20-10-19-15/h3-9,12H,10H2,1-2H3/t12-/m1/s1