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

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

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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(=CS4)C)(C)C)C#C

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO2S/c1-6-18-14-19(8-10-21(18)26(29)30-7-2)20-9-11-24-23(15-20)22(12-13-27(24,4)5)25-28-17(3)16-31-25/h1,8-12,14-16H,7,13H2,2-5H3