2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]-1,3,4-oxadiazole Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(O3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSC3=NN=C(O3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c1-3-24-18-11-16-9-14(2)25-19(16)12-17(18)13-27-21-23-22-20(26-21)10-15-7-5-4-6-8-15/h4-8,11-12,14H,3,9-10,13H2,1-2H3/t14-/m0/s1