2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]butanoic acid

Systemtic Name: 2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]butanoic acid Openeye Name: 2-[4-(4-nitrophenyl)thiazol-2-yl]sulfanylbutanoic acid CAS Name: 2-[[4-(4-nitrophenyl)-2-thiazolyl]thio]butanoic acid IUPAC Name: 2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]butanoic acid Traditional Name: 2-[[4-(4-nitrophenyl)thiazol-2-yl]thio]butyric acid Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c1-2-11(12(16)17)21-13-14-10(7-20-13)8-3-5-9(6-4-8)15(18)19/h3-7,11H,2H2,1H3,(H,16,17)