2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-12-10-15(13(2)25(12)8-9-27-3)16(26)11-29-21-24-23-20(28-21)19-18(22)14-6-4-5-7-17(14)30-19/h4-7,10H,8-9,11H2,1-3H3