2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3-cyano-7-methoxy-2-quinolinyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-cyano-7-methoxy-2-quinolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C=CC(=C4)OC)C=C3C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C=CC(=C4)OC)C=C3C#N

InChI

InChI=1S/C22H18N4O3S2/c1-3-29-16-6-7-17-19(10-16)31-22(25-17)26-20(27)12-30-21-14(11-23)8-13-4-5-15(28-2)9-18(13)24-21/h4-10H,3,12H2,1-2H3,(H,25,26,27)