butyl 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate

Systemtic Name: butyl 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate Openeye Name: butyl 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate CAS Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]-1-benzimidazolecarboxylic acid butyl ester IUPAC Name: butyl 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate Traditional Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylic acid butyl ester Formula: C31H30N2O2S MolecularWeight: 494.6471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

Isomeric SMILES

CCCCOC(=O)N1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

InChI

InChI=1S/C31H30N2O2S/c1-4-5-19-35-30(34)33-27-9-7-6-8-26(27)32-29(33)24-15-12-22(13-16-24)10-11-23-14-17-28-25(21-23)31(2,3)18-20-36-28/h6-9,12-17,21H,4-5,18-20H2,1-3H3