2-[1-(phenylmethyl)-4-(sulfanylmethyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(phenylmethyl)-4-(sulfanylmethyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-4-(sulfanylmethyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-(mercaptomethyl)-1-(phenylmethyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-benzyl-4-(sulfanylmethyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-benzyl-4-(mercaptomethyl)pyrrolidin-3-yl]acetic acid Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=CC=CC=C2)CS)CC(=O)O

Isomeric SMILES

C1C(C(CN1CC2=CC=CC=C2)CS)CC(=O)O

InChI

InChI=1S/C14H19NO2S/c16-14(17)6-12-8-15(9-13(12)10-18)7-11-4-2-1-3-5-11/h1-5,12-13,18H,6-10H2,(H,16,17)