[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O4S/c1-4-6-7-15(5-2)12-22-19(24)13-27-21(25)18-14-28-20(23-18)16-8-10-17(26-3)11-9-16/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,22,24)/t15-/m0/s1