2-butan-2-ylsulfanyl-1-(phenylmethyl)imidazole-4,5-dicarboxylic acid

Systemtic Name: 2-butan-2-ylsulfanyl-1-(phenylmethyl)imidazole-4,5-dicarboxylic acid Openeye Name: 1-benzyl-2-sec-butylsulfanyl-imidazole-4,5-dicarboxylic acid CAS Name: 2-(butan-2-ylthio)-1-(phenylmethyl)imidazole-4,5-dicarboxylic acid IUPAC Name: 1-benzyl-2-butan-2-ylsulfanylimidazole-4,5-dicarboxylic acid Traditional Name: 1-benzyl-2-(sec-butylthio)imidazole-4,5-dicarboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=C(N1CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C)SC1=NC(=C(N1CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-3-10(2)23-16-17-12(14(19)20)13(15(21)22)18(16)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,19,20)(H,21,22)