N-[(2S)-butan-2-yl]-2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)OCC)C=C1C#N

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=C(C=CC(=C2)OCC)C=C1C#N

InChI

InChI=1S/C18H21N3O2S/c1-4-12(3)20-17(22)11-24-18-14(10-19)8-13-6-7-15(23-5-2)9-16(13)21-18/h6-9,12H,4-5,11H2,1-3H3,(H,20,22)/t12-/m0/s1