3-[4-[4-butylsulfanyl-1-[(4-chlorophenyl)carbamoylamino]butoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[4-butylsulfanyl-1-[(4-chlorophenyl)carbamoylamino]butoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[4-butylsulfanyl-1-[(4-chlorophenyl)carbamoylamino]butoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[4-(butylthio)-1-[[(4-chloroanilino)-oxomethyl]amino]butoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[4-butylsulfanyl-1-[(4-chlorophenyl)carbamoylamino]butoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[4-(butylthio)-1-[(4-chlorophenyl)carbamoylamino]butoxy]phenyl]-2-ethoxy-propionic acid Formula: C26H35ClN2O5S MolecularWeight: 523.0845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCC(NC(=O)NC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCCCSCCCC(NC(=O)NC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C26H35ClN2O5S/c1-3-5-16-35-17-6-7-24(29-26(32)28-21-12-10-20(27)11-13-21)34-22-14-8-19(9-15-22)18-23(25(30)31)33-4-2/h8-15,23-24H,3-7,16-18H2,1-2H3,(H,30,31)(H2,28,29,32)