N-tert-butyl-2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-tert-butyl-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-tert-butyl-2-[(3-cyano-7-ethoxy-2-quinolyl)thio]acetamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC(C)(C)C)C#N

InChI

InChI=1S/C18H21N3O2S/c1-5-23-14-7-6-12-8-13(10-19)17(20-15(12)9-14)24-11-16(22)21-18(2,3)4/h6-9H,5,11H2,1-4H3,(H,21,22)