ethyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-(2-tert-butoxy-3-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]benzoate CAS Name: 4-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-1-cyclohexa-1,5-dienyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidenecyclohexa-1,5-dien-1-yl]ethynyl]benzoate Traditional Name: 4-[2-(2-tert-butoxy-3-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]benzoic acid ethyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=C(C(=S)CC=C2)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=C(C(=S)CC=C2)OC(C)(C)C

InChI

InChI=1S/C21H22O3S/c1-5-23-20(22)17-13-10-15(11-14-17)9-12-16-7-6-8-18(25)19(16)24-21(2,3)4/h6-7,10-11,13-14H,5,8H2,1-4H3