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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C23H26N4O3S/c1-3-4-5-6-7-17-8-10-18(11-9-17)20-15-31-23(26-20)27-21(28)14-30-22(29)19-13-24-16(2)12-25-19/h8-13,15H,3-7,14H2,1-2H3,(H,26,27,28)