ethyl 4-[2-[5,5-dimethyl-8-(2-methylpropylsulfanyl)-6H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[5,5-dimethyl-8-(2-methylpropylsulfanyl)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-(8-isobutylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(2-methylpropylthio)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5,5-dimethyl-8-(2-methylpropylsulfanyl)-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[8-(isobutylthio)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C27H30O2S MolecularWeight: 418.5909

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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=C3SCC(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3SCC(C)C)(C)C

InChI

InChI=1S/C27H30O2S/c1-6-29-26(28)22-12-9-20(10-13-22)7-8-21-11-14-24-23(17-21)25(30-18-19(2)3)15-16-27(24,4)5/h9-15,17,19H,6,16,18H2,1-5H3