4-ethoxycarbonyl-7-methyl-4-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]octanoic acid

Systemtic Name: 4-ethoxycarbonyl-7-methyl-4-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]octanoic acid Openeye Name: 4-ethoxycarbonyl-7-methyl-4-[2-(4-methylanilino)thiazol-4-yl]octanoic acid CAS Name: 4-ethoxycarbonyl-7-methyl-4-[2-(4-methylanilino)-4-thiazolyl]octanoic acid IUPAC Name: 4-ethoxycarbonyl-7-methyl-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]octanoic acid Traditional Name: 4-carbethoxy-7-methyl-4-[2-(p-toluidino)thiazol-4-yl]caprylic acid Formula: C22H30N2O4S MolecularWeight: 418.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-5-28-20(27)22(12-10-15(2)3,13-11-19(25)26)18-14-29-21(24-18)23-17-8-6-16(4)7-9-17/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,24)(H,25,26)