ethyl 4-[2-(4,4-dimethyl-2-methylsulfanyl-3H-quinolin-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-2-methylsulfanyl-3H-quinolin-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-dimethyl-2-methylsulfanyl-3H-quinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-[4,4-dimethyl-2-(methylthio)-3H-quinolin-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-2-methylsulfanyl-3H-quinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-[4,4-dimethyl-2-(methylthio)-3H-quinolin-6-yl]ethynyl]benzoic acid ethyl ester Formula: C23H23NO2S MolecularWeight: 377.49922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(CC3(C)C)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(CC3(C)C)SC

InChI

InChI=1S/C23H23NO2S/c1-5-26-22(25)18-11-8-16(9-12-18)6-7-17-10-13-20-19(14-17)23(2,3)15-21(24-20)27-4/h8-14H,5,15H2,1-4H3