ethyl 4-[2-(5-ethanethioyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(5-ethanethioyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-ethanethioyl-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoate CAS Name: 4-[2-[8,8-dimethyl-5-(1-sulfanylideneethyl)-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-ethanethioyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-dimethyl-1-thioacetyl-tetralin-6-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)C(=S)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26O2S/c1-5-27-24(26)20-11-8-18(9-12-20)6-7-19-10-13-22-21(17(2)28)14-15-25(3,4)23(22)16-19/h8-13,16,21H,5,14-15H2,1-4H3