(4E)-4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]isoquinoline-1,3-quinone Formula: C21H12N2O3S MolecularWeight: 372.39658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(O3)C4=NC5=CC=CC=C5S4)C(=O)NC2=O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\C3=CC=C(O3)C4=NC5=CC=CC=C5S4)/C(=O)NC2=O

InChI

InChI=1S/C21H12N2O3S/c24-19-14-6-2-1-5-13(14)15(20(25)23-19)11-12-9-10-17(26-12)21-22-16-7-3-4-8-18(16)27-21/h1-11H,(H,23,24,25)/b15-11+