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

Systemtic Name: 2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-(2-thiazolyl)-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)ethynyl ester Formula: C24H19NO2S MolecularWeight: 385.47816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=NC=CS4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=NC=CS4)C

InChI

InChI=1S/C24H19NO2S/c1-24(2)12-10-19(22-25-13-15-28-22)20-16-17(8-9-21(20)24)11-14-27-23(26)18-6-4-3-5-7-18/h3-10,13,15-16H,12H2,1-2H3