5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-oxidanylidene-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-oxidanylidene-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-oxo-isothiazole-4-carboxylic acid CAS Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-oxo-4-isothiazolecarboxylic acid IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-oxo-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-keto-4-isothiazoline-4-carboxylic acid Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C(=O)NS2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C(=O)NS2)C(=O)O

InChI

InChI=1S/C18H21NO6S2/c1-3-5-12-13(7-6-11(10(2)20)15(12)21)25-8-4-9-26-18-14(17(23)24)16(22)19-27-18/h6-7,21H,3-5,8-9H2,1-2H3,(H,19,22)(H,23,24)