N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-ethoxy-2-quinolyl)thio]acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H17N3O4S/c1-2-26-16-5-3-13-7-14(10-22)21(24-17(13)9-16)29-11-20(25)23-15-4-6-18-19(8-15)28-12-27-18/h3-9H,2,11-12H2,1H3,(H,23,25)