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

Systemtic Name: (2E)-2-[[5-(2,3-dimethyl-4-nitro-phenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-2-[[5-(2,3-dimethyl-4-nitro-phenyl)-2-furyl]methylene]benzothiophen-3-one CAS Name: (2E)-2-[[5-(2,3-dimethyl-4-nitrophenyl)-2-furanyl]methylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-2-[[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one Traditional Name: (2E)-2-[[5-(2,3-dimethyl-4-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=C(C=CC(=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C21H15NO4S/c1-12-13(2)17(22(24)25)9-8-15(12)18-10-7-14(26-18)11-20-21(23)16-5-3-4-6-19(16)27-20/h3-11H,1-2H3/b20-11+