4-[1-[(2-methoxyphenyl)amino]-4-methyl-4-octylsulfanyl-1,3-bis(oxidanylidene)pentan-2-yl]oxybenzoic acid

Systemtic Name: 4-[1-[(2-methoxyphenyl)amino]-4-methyl-4-octylsulfanyl-1,3-bis(oxidanylidene)pentan-2-yl]oxybenzoic acid Openeye Name: 4-[1-[(2-methoxyphenyl)carbamoyl]-3-methyl-3-octylsulfanyl-2-oxo-butoxy]benzoic acid CAS Name: 4-[1-(2-methoxyanilino)-4-methyl-4-(octylthio)-1,3-dioxopentan-2-yl]oxybenzoic acid IUPAC Name: 4-[1-(2-methoxyanilino)-4-methyl-4-octylsulfanyl-1,3-dioxopentan-2-yl]oxybenzoic acid Traditional Name: 4-[2-keto-1-[(2-methoxyphenyl)carbamoyl]-3-methyl-3-(octylthio)butoxy]benzoic acid Formula: C28H37NO6S MolecularWeight: 515.66148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C)(C)C(=O)C(C(=O)NC1=CC=CC=C1OC)OC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCSC(C)(C)C(=O)C(C(=O)NC1=CC=CC=C1OC)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C28H37NO6S/c1-5-6-7-8-9-12-19-36-28(2,3)25(30)24(35-21-17-15-20(16-18-21)27(32)33)26(31)29-22-13-10-11-14-23(22)34-4/h10-11,13-18,24H,5-9,12,19H2,1-4H3,(H,29,31)(H,32,33)