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

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-1-propan-2-yl-2-sulfanylidene-3H-quinolin-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-isopropyl-4,4-dimethyl-2-thioxo-3H-quinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dimethyl-1-propan-2-yl-2-sulfanylidene-3H-quinolin-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-1-propan-2-yl-2-sulfanylidene-3H-quinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-isopropyl-4,4-dimethyl-2-thioxo-3H-quinolin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C25H27NO2S MolecularWeight: 405.55238

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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(=S)CC3(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO2S/c1-6-28-24(27)20-12-9-18(10-13-20)7-8-19-11-14-22-21(15-19)25(4,5)16-23(29)26(22)17(2)3/h9-15,17H,6,16H2,1-5H3