[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(N=CC=C3)SC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(N=CC=C3)SC)OC

InChI

InChI=1S/C20H20N2O4S2/c1-4-25-16-8-7-13(10-17(16)24-2)18-22-14(12-28-18)11-26-20(23)15-6-5-9-21-19(15)27-3/h5-10,12H,4,11H2,1-3H3