3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]-2-phenylsulfanyl-propanoic acid

Systemtic Name: 3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]-2-phenylsulfanyl-propanoic acid Openeye Name: 3-[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]-2-phenylsulfanyl-propanoic acid CAS Name: 3-[3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-1,2-benzoxazol-6-yl]-2-(phenylthio)propanoic acid IUPAC Name: 3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]-2-phenylsulfanylpropanoic acid Traditional Name: 3-[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethyl]indoxazen-6-yl]-2-(phenylthio)propionic acid Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCC3=NOC4=C3C=CC(=C4)CC(C(=O)O)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCC3=NOC4=C3C=CC(=C4)CC(C(=O)O)SC5=CC=CC=C5

InChI

InChI=1S/C28H24N2O4S/c1-18-23(29-27(33-18)20-8-4-2-5-9-20)14-15-24-22-13-12-19(16-25(22)34-30-24)17-26(28(31)32)35-21-10-6-3-7-11-21/h2-13,16,26H,14-15,17H2,1H3,(H,31,32)