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

Systemtic Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-2-indol-3-ylidene-3H-1,3,4-oxadiazole Openeye Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]-2-indol-3-ylidene-3H-1,3,4-oxadiazole CAS Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]-2-(3-indolylidene)-3H-1,3,4-oxadiazole IUPAC Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-2-indol-3-ylidene-3H-1,3,4-oxadiazole Traditional Name: 5-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]-2-indol-3-ylidene-3H-1,3,4-oxadiazole Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NNC(=C4C=NC5=CC=CC=C54)O3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSC3=NNC(=C4C=NC5=CC=CC=C54)O3

InChI

InChI=1S/C22H21N3O3S/c1-3-26-19-9-14-8-13(2)27-20(14)10-15(19)12-29-22-25-24-21(28-22)17-11-23-18-7-5-4-6-16(17)18/h4-7,9-11,13,24H,3,8,12H2,1-2H3/t13-/m0/s1