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

Systemtic Name: (4R)-4-ethoxycarbonyl-7-methyl-4-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]octanoate Openeye Name: (4R)-4-ethoxycarbonyl-7-methyl-4-[2-(4-methylanilino)thiazol-4-yl]octanoate CAS Name: (4R)-4-ethoxycarbonyl-7-methyl-4-[2-(4-methylanilino)-4-thiazolyl]octanoate IUPAC Name: (4R)-4-ethoxycarbonyl-7-methyl-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]octanoate Traditional Name: (4R)-4-carbethoxy-7-methyl-4-[2-(p-toluidino)thiazol-4-yl]caprylate Formula: C22H29N2O4S- MolecularWeight: 417.54166

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)/p-1/t22-/m1/s1