4-oxidanylidene-4-phenyl-3-(1-propylimidazol-2-yl)sulfanyl-butanoic acid

Systemtic Name: 4-oxidanylidene-4-phenyl-3-(1-propylimidazol-2-yl)sulfanyl-butanoic acid Openeye Name: 4-oxo-4-phenyl-3-(1-propylimidazol-2-yl)sulfanyl-butanoic acid CAS Name: 4-oxo-4-phenyl-3-[(1-propyl-2-imidazolyl)thio]butanoic acid IUPAC Name: 4-oxo-4-phenyl-3-(1-propylimidazol-2-yl)sulfanylbutanoic acid Traditional Name: 4-keto-4-phenyl-3-[(1-propylimidazol-2-yl)thio]butyric acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SC(CC(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN1C=CN=C1SC(CC(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-9-18-10-8-17-16(18)22-13(11-14(19)20)15(21)12-6-4-3-5-7-12/h3-8,10,13H,2,9,11H2,1H3,(H,19,20)