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

Systemtic Name: 2-[5,5-dimethyl-8-(5-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-(5-methylthiazol-2-yl)-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-(5-methyl-2-thiazolyl)-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[5,5-dimethyl-8-(5-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[5,5-dimethyl-8-(5-methylthiazol-2-yl)-6H-naphthalen-2-yl]ethynyl ester Formula: C25H21NO2S MolecularWeight: 399.50474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CN=C(S1)C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C25H21NO2S/c1-17-16-26-23(29-17)20-11-13-25(2,3)22-10-9-18(15-21(20)22)12-14-28-24(27)19-7-5-4-6-8-19/h4-11,15-16H,13H2,1-3H3