ethyl 4-[2-(4,4-dimethyl-1-propan-2-yl-2-sulfanylidene-3H-quinolin-7-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-1-propan-2-yl-2-sulfanylidene-3H-quinolin-7-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-isopropyl-4,4-dimethyl-2-thioxo-3H-quinolin-7-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dimethyl-1-propan-2-yl-2-sulfanylidene-3H-quinolin-7-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-1-propan-2-yl-2-sulfanylidene-3H-quinolin-7-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-isopropyl-4,4-dimethyl-2-thioxo-3H-quinolin-7-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)C(CC(=S)N3C(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC(=S)N3C(C)C)(C)C

InChI

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