[2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[hexyl-(4-phenyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C23H26N4O3S/c1-3-4-5-9-12-27(23-26-20(16-31-23)18-10-7-6-8-11-18)21(28)15-30-22(29)19-14-24-17(2)13-25-19/h6-8,10-11,13-14,16H,3-5,9,12,15H2,1-2H3