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

Systemtic Name: octyl 5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophene-2-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C26H32O2S2 MolecularWeight: 440.66108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O2S2/c1-4-5-6-7-8-9-17-28-25(27)24-15-13-21(30-24)12-10-20-11-14-23-22(19-20)26(2,3)16-18-29-23/h11,13-15,19H,4-9,16-18H2,1-3H3