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

Systemtic Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]-2-thienyl]acetic acid CAS Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]acetic acid Traditional Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]-2-thienyl]acetic acid Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)O)C(CCO2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)O)C(CCO2)(C)C

InChI

InChI=1S/C21H22O3S/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)