2-[1-(phenylmethyl)pyrrol-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(phenylmethyl)pyrrol-3-yl]sulfanylethanoic acid Openeye Name: 2-(1-benzylpyrrol-3-yl)sulfanylacetic acid CAS Name: 2-[[1-(phenylmethyl)-3-pyrrolyl]thio]acetic acid IUPAC Name: 2-(1-benzylpyrrol-3-yl)sulfanylacetic acid Traditional Name: 2-[(1-benzylpyrrol-3-yl)thio]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=C2)SCC(=O)O

InChI

InChI=1S/C13H13NO2S/c15-13(16)10-17-12-6-7-14(9-12)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,15,16)