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

Systemtic Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-thienyl]acetic acid CAS Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]acetic acid Traditional Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-thienyl]acetic acid Formula: C21H22O2S2 MolecularWeight: 370.52818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)O)C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)O)C(CCS2)(C)C

InChI

InChI=1S/C21H22O2S2/c1-4-14-12-19-18(21(2,3)9-10-24-19)11-15(14)5-6-16-7-8-17(25-16)13-20(22)23/h7-8,11-12H,4,9-10,13H2,1-3H3,(H,22,23)