2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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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)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N4O4S/c1-3-29-17-6-7-18-14(9-17)8-15(11-22)21(24-18)30-12-20(26)23-19-10-16(25(27)28)5-4-13(19)2/h4-10H,3,12H2,1-2H3,(H,23,26)