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

Systemtic Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Openeye Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole CAS Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]-2-(2-pyrrolylidene)-3H-1,3,4-oxadiazole IUPAC Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Traditional Name: 5-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NNC(=C4C=CC=N4)O3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSC3=NNC(=C4C=CC=N4)O3

InChI

InChI=1S/C18H19N3O3S/c1-3-22-15-8-12-7-11(2)23-16(12)9-13(15)10-25-18-21-20-17(24-18)14-5-4-6-19-14/h4-6,8-9,11,20H,3,7,10H2,1-2H3/t11-/m0/s1