ethyl 6-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(2-tert-butoxy-3-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-1-cyclohexa-1,5-dienyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidenecyclohexa-1,5-dien-1-yl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-tert-butoxy-3-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]nicotinic acid ethyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-5-23-19(22)15-10-12-16(21-13-15)11-9-14-7-6-8-17(25)18(14)24-20(2,3)4/h6-7,10,12-13H,5,8H2,1-4H3