5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-3-ethyl-furan-2-carboxylate

Systemtic Name: 5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-3-ethyl-furan-2-carboxylate Openeye Name: 5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-3-ethyl-furan-2-carboxylate CAS Name: 5-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-ethyl-2-furancarboxylate IUPAC Name: 5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-3-ethylfuran-2-carboxylate Traditional Name: 5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-3-ethyl-2-furoate Formula: C20H19O3S- MolecularWeight: 339.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(OC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C)C(=O)[O-]

InChI

InChI=1S/C20H20O3S/c1-4-14-12-15(23-18(14)19(21)22)7-5-13-6-8-17-16(11-13)20(2,3)9-10-24-17/h6,8,11-12H,4,9-10H2,1-3H3,(H,21,22)/p-1