[(4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene]-[(2-methylpropan-2-yl)oxy]methanolate

Systemtic Name: [(4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene]-[(2-methylpropan-2-yl)oxy]methanolate Openeye Name: tert-butoxy-[(4S)-5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-4H-pyridin-3-ylidene]methanolate CAS Name: [(4S)-5-cyano-6-mercapto-2-methyl-4-thiophen-2-yl-4H-pyridin-3-ylidene]-[(2-methylpropan-2-yl)oxy]methanolate IUPAC Name: [(4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-4H-pyridin-3-ylidene]-[(2-methylpropan-2-yl)oxy]methanolate Traditional Name: tert-butoxy-[(4S)-5-cyano-6-mercapto-2-methyl-4-(2-thienyl)-4H-pyridin-3-ylidene]methanolate Formula: C16H17N2O2S2- MolecularWeight: 333.44838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C([O-])OC(C)(C)C)C2=CC=CS2)C#N)S

Isomeric SMILES

CC1=NC(=C([C@H](C1=C([O-])OC(C)(C)C)C2=CC=CS2)C#N)S

InChI

InChI=1S/C16H18N2O2S2/c1-9-12(15(19)20-16(2,3)4)13(11-6-5-7-22-11)10(8-17)14(21)18-9/h5-7,13,19,21H,1-4H3/p-1/t13-/m0/s1