N-(5-chloranyl-2-methoxy-phenyl)-2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-cyano-6-ethoxy-2-quinolyl)thio]acetamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H18ClN3O3S/c1-3-28-16-5-6-17-13(9-16)8-14(11-23)21(25-17)29-12-20(26)24-18-10-15(22)4-7-19(18)27-2/h4-10H,3,12H2,1-2H3,(H,24,26)