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

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenylquinoline-4-carboxamide Traditional Name: N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenyl-cinchoninamide Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O4S2/c1-34-15-14-30-24-13-12-19(36(2,32)33)16-25(24)35-27(30)29-26(31)21-17-23(18-8-4-3-5-9-18)28-22-11-7-6-10-20(21)22/h3-13,16-17H,14-15H2,1-2H3