ethyl 2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-thienyl]acetate CAS Name: 2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]acetate Traditional Name: 2-[5-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-thienyl]acetic acid ethyl ester Formula: C27H34O2S2 MolecularWeight: 454.68766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C27H34O2S2/c1-5-7-8-9-10-20-18-25-24(27(3,4)15-16-30-25)17-21(20)11-12-22-13-14-23(31-22)19-26(28)29-6-2/h13-14,17-18H,5-10,15-16,19H2,1-4H3