4-ethoxycarbonyl-4-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]octanoic acid

Systemtic Name: 4-ethoxycarbonyl-4-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]octanoic acid Openeye Name: 4-ethoxycarbonyl-4-[2-(4-methylanilino)thiazol-4-yl]octanoic acid CAS Name: 4-ethoxycarbonyl-4-[2-(4-methylanilino)-4-thiazolyl]octanoic acid IUPAC Name: 4-ethoxycarbonyl-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]octanoic acid Traditional Name: 4-carbethoxy-4-[2-(p-toluidino)thiazol-4-yl]caprylic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H28N2O4S/c1-4-6-12-21(13-11-18(24)25,19(26)27-5-2)17-14-28-20(23-17)22-16-9-7-15(3)8-10-16/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,23)(H,24,25)