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

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)cinchoninamide Formula: C25H21N3O4S3 MolecularWeight: 523.64694

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H21N3O4S3/c1-32-12-11-28-21-10-9-16(35(2,30)31)14-23(21)34-25(28)27-24(29)18-15-20(22-8-5-13-33-22)26-19-7-4-3-6-17(18)19/h3-10,13-15H,11-12H2,1-2H3