2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)thio]-N-(4-nitrophenyl)acetamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O4S/c1-2-28-17-7-8-18-13(10-17)9-14(11-21)20(23-18)29-12-19(25)22-15-3-5-16(6-4-15)24(26)27/h3-10H,2,12H2,1H3,(H,22,25)