N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)cinchoninamide Formula: C27H25N3O3S2 MolecularWeight: 503.6357

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H25N3O3S2/c1-3-32-14-13-30-23-12-11-18(33-4-2)16-25(23)35-27(30)29-26(31)20-17-22(24-10-7-15-34-24)28-21-9-6-5-8-19(20)21/h5-12,15-17H,3-4,13-14H2,1-2H3