2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-3-oxidanyl-1-sulfanylidene-3H-1,2-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-3-oxidanyl-1-sulfanylidene-3H-1,2-thiazole-4-carboxylic acid Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-3-hydroxy-1-thioxo-3H-isothiazole-4-carboxylic acid CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-3-hydroxy-1-sulfanylidene-3H-isothiazole-4-carboxylic acid IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-3-hydroxy-1-sulfanylidene-3H-1,2-thiazole-4-carboxylic acid Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-3-hydroxy-1-thioxo-3H-isothiazole-4-carboxylic acid Formula: C18H23NO6S2 MolecularWeight: 413.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCN2C(C(=CS2=S)C(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCN2C(C(=CS2=S)C(=O)O)O

InChI

InChI=1S/C18H23NO6S2/c1-3-5-13-15(7-6-12(11(2)20)16(13)21)25-9-4-8-19-17(22)14(18(23)24)10-27(19)26/h6-7,10,17,21-22H,3-5,8-9H2,1-2H3,(H,23,24)