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

Systemtic Name: ethyl 5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]thiophene-2-carboxylate CAS Name: 5-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophene-2-carboxylate Traditional Name: 5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20O2S2 MolecularWeight: 356.5016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C20H20O2S2/c1-4-22-19(21)18-10-8-15(24-18)7-5-14-6-9-17-16(13-14)20(2,3)11-12-23-17/h6,8-10,13H,4,11-12H2,1-3H3