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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)cinchoninamide Formula: C26H23N3O4S3 MolecularWeight: 537.67352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4S3/c1-3-33-13-12-29-22-11-10-17(36(2,31)32)15-24(22)35-26(29)28-25(30)19-16-21(23-9-6-14-34-23)27-20-8-5-4-7-18(19)20/h4-11,14-16H,3,12-13H2,1-2H3