7-[3-[4-(2-methylsulfanyl-1,3-thiazol-4-yl)-2-propyl-phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-[4-(2-methylsulfanyl-1,3-thiazol-4-yl)-2-propyl-phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-[4-(2-methylsulfanylthiazol-4-yl)-2-propyl-phenoxy]propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-[4-[2-(methylthio)-4-thiazolyl]-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-[4-(2-methylsulfanyl-1,3-thiazol-4-yl)-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-[4-[2-(methylthio)thiazol-4-yl]-2-propyl-phenoxy]propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C29H35NO5S2 MolecularWeight: 541.7219

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CSC(=N2)SC)OCCCOC3=C(C4=C(CCC(O4)C(=O)O)C=C3)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CSC(=N2)SC)OCCCOC3=C(C4=C(CCC(O4)C(=O)O)C=C3)CCC

InChI

InChI=1S/C29H35NO5S2/c1-4-7-21-17-20(23-18-37-29(30-23)36-3)11-12-24(21)33-15-6-16-34-25-13-9-19-10-14-26(28(31)32)35-27(19)22(25)8-5-2/h9,11-13,17-18,26H,4-8,10,14-16H2,1-3H3,(H,31,32)