2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl benzoate

Systemtic Name: 2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl benzoate Openeye Name: 2-(4,4,7-triethylthiochroman-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(4,4,7-triethylthiochroman-6-yl)ethynyl ester Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#COC(=O)C3=CC=CC=C3)C(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#COC(=O)C3=CC=CC=C3)C(CCS2)(CC)CC

InChI

InChI=1S/C24H26O2S/c1-4-18-17-22-21(24(5-2,6-3)13-15-27-22)16-20(18)12-14-26-23(25)19-10-8-7-9-11-19/h7-11,16-17H,4-6,13,15H2,1-3H3