2-[(4-chlorophenyl)methylsulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(4-chlorophenyl)methylthio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(4-chlorobenzyl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone Formula: C23H26ClNO2S MolecularWeight: 415.97604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO2S/c1-5-27-19-10-11-21-20(12-19)16(2)13-23(3,4)25(21)22(26)15-28-14-17-6-8-18(24)9-7-17/h6-13H,5,14-15H2,1-4H3