4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C26H16N2O5S MolecularWeight: 468.48064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H16N2O5S/c29-24(21-16-18-9-2-4-13-22(18)32-25(21)30)31-14-5-6-15-34-26-28-27-23(33-26)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2