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

Systemtic Name: 4-[2-[8,8-dimethyl-5-(1,3-thiazol-2-yl)-7H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-(8,8-dimethyl-5-thiazol-2-yl-7H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-[8,8-dimethyl-5-(2-thiazolyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8,8-dimethyl-5-(1,3-thiazol-2-yl)-7H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-(8,8-dimethyl-5-thiazol-2-yl-7H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C24H19NO2S MolecularWeight: 385.47816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=NC=CS4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=NC=CS4)C

InChI

InChI=1S/C24H19NO2S/c1-24(2)12-11-20(22-25-13-14-28-22)19-10-7-17(15-21(19)24)4-3-16-5-8-18(9-6-16)23(26)27/h5-11,13-15H,12H2,1-2H3,(H,26,27)