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

Systemtic Name: methyl 3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]-2-phenylsulfanyl-propanoate Openeye Name: methyl 3-[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]-2-phenylsulfanyl-propanoate CAS Name: 3-[3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-1,2-benzoxazol-6-yl]-2-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]-2-phenylsulfanylpropanoate Traditional Name: 3-[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethyl]indoxazen-6-yl]-2-(phenylthio)propionic acid methyl ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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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)OC)SC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O4S/c1-19-24(30-28(34-19)21-9-5-3-6-10-21)15-16-25-23-14-13-20(17-26(23)35-31-25)18-27(29(32)33-2)36-22-11-7-4-8-12-22/h3-14,17,27H,15-16,18H2,1-2H3