1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidino]-2-(phenylthio)ethanone Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)CSC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C26H24N2O3S/c1-30-23-12-6-5-10-20(23)18-13-14-24-21(16-18)27-26(31-24)22-11-7-15-28(22)25(29)17-32-19-8-3-2-4-9-19/h2-6,8-10,12-14,16,22H,7,11,15,17H2,1H3