N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methoxy-2-methyl-4-quinolyl)thio]acetamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N2O4S/c1-13-9-20(16-11-15(25-2)4-5-17(16)22-13)28-12-21(24)23-14-3-6-18-19(10-14)27-8-7-26-18/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24)