ethyl 4-[2-[5,5-dimethyl-8-(4-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[5,5-dimethyl-8-(4-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[5,5-dimethyl-8-(4-methylthiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(4-methyl-2-thiazolyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5,5-dimethyl-8-(4-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[5,5-dimethyl-8-(4-methylthiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C27H25NO2S MolecularWeight: 427.5579

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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=C3C4=NC(=CS4)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=NC(=CS4)C)(C)C

InChI

InChI=1S/C27H25NO2S/c1-5-30-26(29)21-11-8-19(9-12-21)6-7-20-10-13-24-23(16-20)22(14-15-27(24,3)4)25-28-18(2)17-31-25/h8-14,16-17H,5,15H2,1-4H3