2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C22H23O3S- MolecularWeight: 367.48122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(O3)CC(=O)[O-])CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(O3)CC(=O)[O-])CC

InChI

InChI=1S/C22H24O3S/c1-4-22(5-2)10-11-26-20-12-15(3)16(13-19(20)22)6-7-17-8-9-18(25-17)14-21(23)24/h8-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,24)/p-1