2-[[5-(2,4-dimethyl-5-nitro-phenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one

Systemtic Name: 2-[[5-(2,4-dimethyl-5-nitro-phenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one Openeye Name: 2-[[5-(2,4-dimethyl-5-nitro-phenyl)-2-furyl]methylene]benzothiophen-3-one CAS Name: 2-[[5-(2,4-dimethyl-5-nitrophenyl)-2-furanyl]methylidene]-1-benzothiophen-3-one IUPAC Name: 2-[[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one Traditional Name: 2-[[5-(2,4-dimethyl-5-nitro-phenyl)-2-furyl]methylene]benzothiophen-3-one Formula: C21H15NO4S MolecularWeight: 377.4131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4S3)[N+](=O)[O-])C

InChI

InChI=1S/C21H15NO4S/c1-12-9-13(2)17(22(24)25)11-16(12)18-8-7-14(26-18)10-20-21(23)15-5-3-4-6-19(15)27-20/h3-11H,1-2H3