ethyl 4-[2-[8,8-dimethyl-5-(1,3-thiazol-2-yl)-7H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[8,8-dimethyl-5-(1,3-thiazol-2-yl)-7H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-(8,8-dimethyl-5-thiazol-2-yl-7H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-[8,8-dimethyl-5-(2-thiazolyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[8,8-dimethyl-5-(1,3-thiazol-2-yl)-7H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-(8,8-dimethyl-5-thiazol-2-yl-7H-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(=CCC3(C)C)C4=NC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)C4=NC=CS4

InChI

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