6-(hydroxymethyl)-3-oxidanyl-2-[(pyridin-2-ylamino)-thiophen-2-yl-methyl]pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[(pyridin-2-ylamino)-thiophen-2-yl-methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(2-pyridylamino)-(2-thienyl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(2-pyridinylamino)-thiophen-2-ylmethyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(pyridin-2-ylamino)-thiophen-2-ylmethyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(2-pyridylamino)-(2-thienyl)methyl]pyran-4-one Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(C2=CC=CS2)C3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1=CC=NC(=C1)NC(C2=CC=CS2)C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C16H14N2O4S/c19-9-10-8-11(20)15(21)16(22-10)14(12-4-3-7-23-12)18-13-5-1-2-6-17-13/h1-8,14,19,21H,9H2,(H,17,18)