5-(aminocarbonylamino)-3-(2-oxidanylpropyl)-3-pentylsulfanyl-2H-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(aminocarbonylamino)-3-(2-oxidanylpropyl)-3-pentylsulfanyl-2H-1,2-thiazole-4-carboxylic acid Openeye Name: 3-(2-hydroxypropyl)-3-pentylsulfanyl-5-ureido-2H-isothiazole-4-carboxylic acid CAS Name: 5-(carbamoylamino)-3-(2-hydroxypropyl)-3-(pentylthio)-2H-isothiazole-4-carboxylic acid IUPAC Name: 5-(carbamoylamino)-3-(2-hydroxypropyl)-3-pentylsulfanyl-2H-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-3-(2-hydroxypropyl)-5-ureido-4-isothiazoline-4-carboxylic acid Formula: C13H23N3O4S2 MolecularWeight: 349.46942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1(C(=C(SN1)NC(=O)N)C(=O)O)CC(C)O

Isomeric SMILES

CCCCCSC1(C(=C(SN1)NC(=O)N)C(=O)O)CC(C)O

InChI

InChI=1S/C13H23N3O4S2/c1-3-4-5-6-21-13(7-8(2)17)9(11(18)19)10(22-16-13)15-12(14)20/h8,16-17H,3-7H2,1-2H3,(H,18,19)(H3,14,15,20)