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

Systemtic Name: ethyl 2-[4-[2-(7-butyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(7-butyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(7-butyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(7-butyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(7-butyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C27H32O2S MolecularWeight: 420.60678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O2S/c1-5-7-8-22-19-25-24(27(3,4)15-16-30-25)18-23(22)14-13-20-9-11-21(12-10-20)17-26(28)29-6-2/h9-12,18-19H,5-8,15-17H2,1-4H3