ethyl 2-[4-[2-(7-butyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate

Systemtic Name: ethyl 2-[4-[2-(7-butyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 2-[4-[2-(7-butyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 2-[4-[2-(7-butyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(7-butyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 2-[4-[2-(7-butyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C30H38O2S MolecularWeight: 462.68652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C30H38O2S/c1-6-9-11-24-21-28-27(30(4,5)18-19-33-28)20-25(24)17-14-22-12-15-23(16-13-22)26(10-7-2)29(31)32-8-3/h12-13,15-16,20-21,26H,6-11,18-19H2,1-5H3