phenyl 2-ethoxy-4-[6-(methylamino)pyridin-2-yl]-3-(5-methyl-1,3-thiazol-2-yl)butanoate

Systemtic Name: phenyl 2-ethoxy-4-[6-(methylamino)pyridin-2-yl]-3-(5-methyl-1,3-thiazol-2-yl)butanoate Openeye Name: phenyl 2-ethoxy-4-[6-(methylamino)-2-pyridyl]-3-(5-methylthiazol-2-yl)butanoate CAS Name: 2-ethoxy-4-[6-(methylamino)-2-pyridinyl]-3-(5-methyl-2-thiazolyl)butanoic acid phenyl ester IUPAC Name: phenyl 2-ethoxy-4-[6-(methylamino)pyridin-2-yl]-3-(5-methyl-1,3-thiazol-2-yl)butanoate Traditional Name: 2-ethoxy-4-[6-(methylamino)-2-pyridyl]-3-(5-methylthiazol-2-yl)butyric acid phenyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC1=NC(=CC=C1)NC)C2=NC=C(S2)C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC(C(CC1=NC(=CC=C1)NC)C2=NC=C(S2)C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-4-27-20(22(26)28-17-10-6-5-7-11-17)18(21-24-14-15(2)29-21)13-16-9-8-12-19(23-3)25-16/h5-12,14,18,20H,4,13H2,1-3H3,(H,23,25)