2-ethylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylic acid

Systemtic Name: 2-ethylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylic acid Openeye Name: 3-benzyl-2-ethylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-(ethylthio)-3-(phenylmethyl)-4-imidazolecarboxylic acid IUPAC Name: 3-benzyl-2-ethylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-benzyl-2-(ethylthio)imidazole-4-carboxylic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCSC1=NC=C(N1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O2S/c1-2-18-13-14-8-11(12(16)17)15(13)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17)