ethyl 4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)thiochromen-6-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[4-(4-isopropylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)thiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-(2,2-dimethyl-4-p-cumenyl-thiochromen-6-yl)ethynyl]benzoic acid ethyl ester Formula: C31H30O2S MolecularWeight: 466.6337

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=C(C=C4)C(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=C(C=C4)C(C)C)(C)C

InChI

InChI=1S/C31H30O2S/c1-6-33-30(32)26-12-9-22(10-13-26)7-8-23-11-18-29-27(19-23)28(20-31(4,5)34-29)25-16-14-24(15-17-25)21(2)3/h9-21H,6H2,1-5H3