2-(3-ethyl-6,7-dimethoxy-quinolin-2-yl)sulfanyl-1-[(3R)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-(3-ethyl-6,7-dimethoxy-quinolin-2-yl)sulfanyl-1-[(3R)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[(3-ethyl-6,7-dimethoxy-2-quinolyl)sulfanyl]-1-[(3R)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[(3-ethyl-6,7-dimethoxy-2-quinolinyl)thio]-1-[(3R)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-(3-ethyl-6,7-dimethoxyquinolin-2-yl)sulfanyl-1-[(3R)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[(3-ethyl-6,7-dimethoxy-2-quinolyl)thio]-1-[(3R)-3-methylpiperidino]ethanone Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C21H28N2O3S/c1-5-15-9-16-10-18(25-3)19(26-4)11-17(16)22-21(15)27-13-20(24)23-8-6-7-14(2)12-23/h9-11,14H,5-8,12-13H2,1-4H3/t14-/m1/s1