2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl 2-ethylbenzoate

Systemtic Name: 2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl 2-ethylbenzoate Openeye Name: 2-(4,4,7-trimethylthiochroman-6-yl)ethynyl 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid 2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid 2-(4,4,7-trimethylthiochroman-6-yl)ethynyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC#CC2=CC3=C(C=C2C)SCCC3(C)C

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC#CC2=CC3=C(C=C2C)SCCC3(C)C

InChI

InChI=1S/C23H24O2S/c1-5-17-8-6-7-9-19(17)22(24)25-12-10-18-15-20-21(14-16(18)2)26-13-11-23(20,3)4/h6-9,14-15H,5,11,13H2,1-4H3