2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl 2-ethylbenzoate

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl 2-ethylbenzoate Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)ethynyl 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid 2-(4,4-dimethylthiochroman-6-yl)ethynyl ester Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C22H22O2S/c1-4-17-7-5-6-8-18(17)21(23)24-13-11-16-9-10-20-19(15-16)22(2,3)12-14-25-20/h5-10,15H,4,12,14H2,1-3H3