ethyl 4-[2-[6-[(2-methylpropan-2-yl)oxy]-4-sulfanylidene-cyclohexa-1,5-dien-1-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[6-[(2-methylpropan-2-yl)oxy]-4-sulfanylidene-cyclohexa-1,5-dien-1-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-(6-tert-butoxy-4-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]benzoate CAS Name: 4-[2-[6-[(2-methylpropan-2-yl)oxy]-4-sulfanylidene-1-cyclohexa-1,5-dienyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-[(2-methylpropan-2-yl)oxy]-4-sulfanylidenecyclohexa-1,5-dien-1-yl]ethynyl]benzoate Traditional Name: 4-[2-(6-tert-butoxy-4-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]benzoic acid ethyl ester Formula: C21H22O3S MolecularWeight: 354.46258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CCC(=S)C=C2OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CCC(=S)C=C2OC(C)(C)C

InChI

InChI=1S/C21H22O3S/c1-5-23-20(22)17-10-7-15(8-11-17)6-9-16-12-13-18(25)14-19(16)24-21(2,3)4/h7-8,10-12,14H,5,13H2,1-4H3