sodium 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyrimidine-4-carboxylate

Systemtic Name: sodium 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyrimidine-4-carboxylate Openeye Name: sodium 2-[2-(3,4-diethoxyphenyl)thiazol-4-yl]pyrimidine-4-carboxylate CAS Name: sodium 2-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-pyrimidinecarboxylate IUPAC Name: sodium 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyrimidine-4-carboxylate Traditional Name: sodium 2-[2-(3,4-diethoxyphenyl)thiazol-4-yl]pyrimidine-4-carboxylate Formula: C18H16N3NaO4S MolecularWeight: 393.39211

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC=CC(=N3)C(=O)[O-])OCC.[Na+]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC=CC(=N3)C(=O)[O-])OCC.[Na+]

InChI

InChI=1S/C18H17N3O4S.Na/c1-3-24-14-6-5-11(9-15(14)25-4-2)17-21-13(10-26-17)16-19-8-7-12(20-16)18(22)23;/h5-10H,3-4H2,1-2H3,(H,22,23);/q;+1/p-1