4-[(2-ethylsulfanyl-5-methanoyl-imidazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-ethylsulfanyl-5-methanoyl-imidazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-ethylsulfanyl-5-formyl-imidazol-1-yl)methyl]benzoic acid CAS Name: 4-[[2-(ethylthio)-5-formyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[(2-ethylsulfanyl-5-formylimidazol-1-yl)methyl]benzoic acid Traditional Name: 4-[[2-(ethylthio)-5-formyl-imidazol-1-yl]methyl]benzoic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S/c1-2-20-14-15-7-12(9-17)16(14)8-10-3-5-11(6-4-10)13(18)19/h3-7,9H,2,8H2,1H3,(H,18,19)