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

Systemtic Name: ethyl 4-[2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(2-thiazolyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester Formula: C26H23NO2S MolecularWeight: 413.53132

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO2S/c1-4-29-25(28)20-10-7-18(8-11-20)5-6-19-9-12-23-22(17-19)21(13-14-26(23,2)3)24-27-15-16-30-24/h7-13,15-17H,4,14H2,1-3H3