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

Systemtic Name: 7-[3-[4-(2-azanyl-1,3-thiazol-4-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-[4-(2-aminothiazol-4-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-[4-(2-amino-4-thiazolyl)-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-[4-(2-amino-1,3-thiazol-4-yl)-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-[4-(2-aminothiazol-4-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C29H36N2O6S MolecularWeight: 540.67094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CSC(=N4)N)OC)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CSC(=N4)N)OC)CCC

InChI

InChI=1S/C29H36N2O6S/c1-4-7-20-23(12-9-18-10-13-25(28(32)33)37-26(18)20)35-15-6-16-36-24-14-11-19(22-17-38-29(30)31-22)27(34-3)21(24)8-5-2/h9,11-12,14,17,25H,4-8,10,13,15-16H2,1-3H3,(H2,30,31)(H,32,33)