4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(sec-butylsulfanylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(butan-2-ylthio)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(sec-butylthio)methyl]thiazole-2-carboxylic acid Formula: C9H13NO2S2 MolecularWeight: 231.33502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=CSC(=N1)C(=O)O

Isomeric SMILES

CCC(C)SCC1=CSC(=N1)C(=O)O

InChI

InChI=1S/C9H13NO2S2/c1-3-6(2)13-4-7-5-14-8(10-7)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)