6-[[[3-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-bromanyl-2-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-bromanyl-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylene]-4-bromo-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-bromo-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-bromo-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylene]-4-bromo-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)C1=O)Br

InChI

InChI=1S/C22H17BrN2O2S/c1-2-27-19-12-16(23)10-15(21(19)26)13-24-17-7-5-6-14(11-17)22-25-18-8-3-4-9-20(18)28-22/h3-13,24H,2H2,1H3