(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H18N2O5S/c1-15(27)26-17-9-10-19-16(12-22(28)31-21(19)13-17)14-30-24(29)20-8-5-11-25-23(20)32-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,26,27)