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

Systemtic Name: ethyl 4-[8-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]-2-ethynyl-benzoate Openeye Name: ethyl 4-[8-(4,5-dimethylthiazol-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]-2-ethynyl-benzoate CAS Name: 4-[8-(4,5-dimethyl-2-thiazolyl)-5,5-dimethyl-6H-naphthalen-2-yl]-2-ethynylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]-2-ethynylbenzoate Traditional Name: 4-[8-(4,5-dimethylthiazol-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]-2-ethynyl-benzoic acid ethyl ester Formula: C28H27NO2S MolecularWeight: 441.58448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C(CC=C3C4=NC(=C(S4)C)C)(C)C)C#C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C(CC=C3C4=NC(=C(S4)C)C)(C)C)C#C

InChI

InChI=1S/C28H27NO2S/c1-7-19-15-20(9-11-22(19)27(30)31-8-2)21-10-12-25-24(16-21)23(13-14-28(25,5)6)26-29-17(3)18(4)32-26/h1,9-13,15-16H,8,14H2,2-6H3