5-[(3-oxidanylazetidin-1-yl)carbonylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[(3-oxidanylazetidin-1-yl)carbonylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[(3-hydroxyazetidine-1-carbonyl)amino]-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[(3-hydroxy-1-azetidinyl)-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-[(3-hydroxyazetidine-1-carbonyl)amino]-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-[(3-hydroxyazetidine-1-carbonyl)amino]isothiazole-4-carboxylic acid Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)N2CC(C2)O

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)N2CC(C2)O

InChI

InChI=1S/C13H19N3O4S2/c1-2-3-4-5-21-11-9(12(18)19)10(22-15-11)14-13(20)16-6-8(17)7-16/h8,17H,2-7H2,1H3,(H,14,20)(H,18,19)