ethyl 4-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-dimethyl-2-thioxo-1,3-dihydroquinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-dimethyl-2-thioxo-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=S)CC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=S)CC3(C)C

InChI

InChI=1S/C22H21NO2S/c1-4-25-21(24)17-10-7-15(8-11-17)5-6-16-9-12-19-18(13-16)22(2,3)14-20(26)23-19/h7-13H,4,14H2,1-3H3,(H,23,26)