ethyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-5-yl)-3-oxidanyl-prop-1-ynyl]benzoate

Systemtic Name: ethyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-5-yl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-(4,4-dimethylthiochroman-5-yl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-5-yl)-3-hydroxyprop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-5-yl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(4,4-dimethylthiochroman-5-yl)-3-hydroxy-prop-1-ynyl]benzoic acid ethyl ester Formula: C23H24O3S MolecularWeight: 380.49986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C3C(=CC=C2)SCCC3(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C3C(=CC=C2)SCCC3(C)C)O

InChI

InChI=1S/C23H24O3S/c1-4-26-22(25)17-11-8-16(9-12-17)10-13-19(24)18-6-5-7-20-21(18)23(2,3)14-15-27-20/h5-9,11-12,19,24H,4,14-15H2,1-3H3