4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester Formula: C21H13NO5S MolecularWeight: 391.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC#CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC#CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H13NO5S/c23-19(15-13-14-7-1-3-9-17(14)26-20(15)24)25-11-5-6-12-28-21-22-16-8-2-4-10-18(16)27-21/h1-4,7-10,13H,11-12H2