5-azanyl-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-azanyl-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-amino-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-amino-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-amino-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 5-amino-3-(amylthio)isothiazole-4-carboxylic acid Formula: C9H14N2O2S2 MolecularWeight: 246.34966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)N

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)N

InChI

InChI=1S/C9H14N2O2S2/c1-2-3-4-5-14-8-6(9(12)13)7(10)15-11-8/h2-5,10H2,1H3,(H,12,13)