3-[2-(4-methylphenyl)sulfanyloxycarbonylpyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-[2-(4-methylphenyl)sulfanyloxycarbonylpyrrolidin-1-yl]propanoic acid Openeye Name: 3-[2-(p-tolylsulfanyloxycarbonyl)pyrrolidin-1-yl]propanoic acid CAS Name: 3-[2-[[(4-methylphenyl)thio]oxy-oxomethyl]-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[2-(4-methylphenyl)sulfanyloxycarbonylpyrrolidin-1-yl]propanoic acid Traditional Name: 3-[2-(p-tolylthio)oxycarbonylpyrrolidino]propionic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SOC(=O)C2CCCN2CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SOC(=O)C2CCCN2CCC(=O)O

InChI

InChI=1S/C15H19NO4S/c1-11-4-6-12(7-5-11)21-20-15(19)13-3-2-9-16(13)10-8-14(17)18/h4-7,13H,2-3,8-10H2,1H3,(H,17,18)