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

Systemtic Name: 4-[(E)-2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethenyl]benzoate Openeye Name: 4-[(E)-2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-[5,5-dimethyl-8-(2-thiazolyl)-6H-naphthalen-2-yl]ethenyl]benzoate IUPAC Name: 4-[(E)-2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)vinyl]benzoate Formula: C24H20NO2S- MolecularWeight: 386.4861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)[O-])C4=NC=CS4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)[O-])C4=NC=CS4)C

InChI

InChI=1S/C24H21NO2S/c1-24(2)12-11-19(22-25-13-14-28-22)20-15-17(7-10-21(20)24)4-3-16-5-8-18(9-6-16)23(26)27/h3-11,13-15H,12H2,1-2H3,(H,26,27)/p-1/b4-3+