[2-oxidanylidene-7-(4-phenylphenyl)-1,3-benzoxathiol-5-yl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-7-(4-phenylphenyl)-1,3-benzoxathiol-5-yl] pyridine-3-carboxylate Openeye Name: [2-oxo-7-(4-phenylphenyl)-1,3-benzoxathiol-5-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-7-(4-phenylphenyl)-1,3-benzoxathiol-5-yl] ester IUPAC Name: [2-oxo-7-(4-phenylphenyl)-1,3-benzoxathiol-5-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-7-(4-phenylphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C25H15NO4S MolecularWeight: 425.4559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC4=C3OC(=O)S4)OC(=O)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC4=C3OC(=O)S4)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H15NO4S/c27-24(19-7-4-12-26-15-19)29-20-13-21(23-22(14-20)31-25(28)30-23)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-15H