2-ethoxy-3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]indol-6-yl]propanoic acid

Systemtic Name: 2-ethoxy-3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]indol-6-yl]propanoic acid Openeye Name: 2-ethoxy-3-[1-[[2-(4-isopropylphenyl)thiazol-4-yl]methyl]indol-6-yl]propanoic acid CAS Name: 2-ethoxy-3-[1-[[2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl]-6-indolyl]propanoic acid IUPAC Name: 2-ethoxy-3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]indol-6-yl]propanoic acid Traditional Name: 2-ethoxy-3-[1-[(2-p-cumenylthiazol-4-yl)methyl]indol-6-yl]propionic acid Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC2=C(C=C1)C=CN2CC3=CSC(=N3)C4=CC=C(C=C4)C(C)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC2=C(C=C1)C=CN2CC3=CSC(=N3)C4=CC=C(C=C4)C(C)C)C(=O)O

InChI

InChI=1S/C26H28N2O3S/c1-4-31-24(26(29)30)14-18-5-6-20-11-12-28(23(20)13-18)15-22-16-32-25(27-22)21-9-7-19(8-10-21)17(2)3/h5-13,16-17,24H,4,14-15H2,1-3H3,(H,29,30)