ethyl 5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]thiophene-2-carboxylate CAS Name: 5-[2-(4,4,7-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophene-2-carboxylate Traditional Name: 5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C#CC2=CC3=C(C=C2C)OCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C#CC2=CC3=C(C=C2C)OCCC3(C)C

InChI

InChI=1S/C21H22O3S/c1-5-23-20(22)19-9-8-16(25-19)7-6-15-13-17-18(12-14(15)2)24-11-10-21(17,3)4/h8-9,12-13H,5,10-11H2,1-4H3