3-[4-(4-chlorophenyl)-2-cyclohexylsulfanyl-1,3-oxazol-5-yl]propanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)-2-cyclohexylsulfanyl-1,3-oxazol-5-yl]propanoic acid Openeye Name: 3-[4-(4-chlorophenyl)-2-cyclohexylsulfanyl-oxazol-5-yl]propanoic acid CAS Name: 3-[4-(4-chlorophenyl)-2-(cyclohexylthio)-5-oxazolyl]propanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)-2-cyclohexylsulfanyl-1,3-oxazol-5-yl]propanoic acid Traditional Name: 3-[4-(4-chlorophenyl)-2-(cyclohexylthio)oxazol-5-yl]propionic acid Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC(=C(O2)CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)SC2=NC(=C(O2)CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO3S/c19-13-8-6-12(7-9-13)17-15(10-11-16(21)22)23-18(20-17)24-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,21,22)