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

Systemtic Name: 6-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(2-tert-butoxy-3-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidene-1-cyclohexa-1,5-dienyl]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[2-[(2-methylpropan-2-yl)oxy]-3-sulfanylidenecyclohexa-1,5-dien-1-yl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(2-tert-butoxy-3-thioxo-cyclohexa-1,5-dien-1-yl)ethynyl]nicotinic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C=CCC1=S)C#CC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC1=C(C=CCC1=S)C#CC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17NO3S/c1-18(2,3)22-16-12(5-4-6-15(16)23)7-9-14-10-8-13(11-19-14)17(20)21/h4-5,8,10-11H,6H2,1-3H3,(H,20,21)