ethyl 4-[2-(5-ethylsulfanyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(5-ethylsulfanyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(5-ethylsulfanyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-[5-(ethylthio)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-ethylsulfanyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-[5-(ethylthio)-8,8-dimethyl-7H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C25H26O2S MolecularWeight: 390.53774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)SCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)SCC

InChI

InChI=1S/C25H26O2S/c1-5-27-24(26)20-12-9-18(10-13-20)7-8-19-11-14-21-22(17-19)25(3,4)16-15-23(21)28-6-2/h9-15,17H,5-6,16H2,1-4H3