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

Systemtic Name: methyl 5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18O2S2 MolecularWeight: 342.47502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(S3)C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(S3)C(=O)OC)C

InChI

InChI=1S/C19H18O2S2/c1-19(2)10-11-22-16-8-5-13(12-15(16)19)4-6-14-7-9-17(23-14)18(20)21-3/h5,7-9,12H,10-11H2,1-3H3