(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carbothioamide

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carbothioamide Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridyl)chromane-6-carbothioamide CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carbothioamide IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carbothioamide Traditional Name: (3S,4R)-3-hydroxy-4-(2-keto-1-pyridyl)-2,2-dimethyl-chroman-6-carbothioamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=S)N)N3C=CC=CC3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(=S)N)N3C=CC=CC3=O)O)C

InChI

InChI=1S/C17H18N2O3S/c1-17(2)15(21)14(19-8-4-3-5-13(19)20)11-9-10(16(18)23)6-7-12(11)22-17/h3-9,14-15,21H,1-2H3,(H2,18,23)/t14-,15+/m1/s1