7-(4-chlorophenyl)-2-ethylsulfanyl-6-methyl-4-piperidin-1-yl-5-(pyridin-2-ylmethoxy)-1,3-benzoxazole

Systemtic Name: 7-(4-chlorophenyl)-2-ethylsulfanyl-6-methyl-4-piperidin-1-yl-5-(pyridin-2-ylmethoxy)-1,3-benzoxazole Openeye Name: 7-(4-chlorophenyl)-2-ethylsulfanyl-6-methyl-4-(1-piperidyl)-5-(2-pyridylmethoxy)-1,3-benzoxazole CAS Name: 7-(4-chlorophenyl)-2-(ethylthio)-6-methyl-4-(1-piperidinyl)-5-(2-pyridinylmethoxy)-1,3-benzoxazole IUPAC Name: 7-(4-chlorophenyl)-2-ethylsulfanyl-6-methyl-4-piperidin-1-yl-5-(pyridin-2-ylmethoxy)-1,3-benzoxazole Traditional Name: 7-(4-chlorophenyl)-2-(ethylthio)-6-methyl-4-piperidino-5-(2-pyridylmethoxy)-1,3-benzoxazole Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(O1)C(=C(C(=C2N3CCCCC3)OCC4=CC=CC=N4)C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCSC1=NC2=C(O1)C(=C(C(=C2N3CCCCC3)OCC4=CC=CC=N4)C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-3-34-27-30-23-24(31-15-7-4-8-16-31)25(32-17-21-9-5-6-14-29-21)18(2)22(26(23)33-27)19-10-12-20(28)13-11-19/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3