2-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-5-propan-2-yl-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-5-isopropyl-thiazole-4-carboxylic acid CAS Name: 2-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-5-propan-2-yl-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-5-propan-2-yl-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-5-isopropyl-thiazole-4-carboxylic acid Formula: C26H30N2O5S MolecularWeight: 482.5918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(S1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(N=C(S1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C26H30N2O5S/c1-16(2)24-23(26(30)31)28-25(34-24)18-9-11-22-17(12-18)8-10-21(33-22)14-27-13-19(29)15-32-20-6-4-3-5-7-20/h3-7,9,11-12,16,19,21,27,29H,8,10,13-15H2,1-2H3,(H,30,31)