(2S)-2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: (2S)-2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: (2S)-2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanyl]propanoate CAS Name: (2S)-2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]propanoate IUPAC Name: (2S)-2-(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]propionate Formula: C16H13N2O2S- MolecularWeight: 297.35162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SC(C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S/c1-10-8-13(12-6-4-3-5-7-12)14(9-17)15(18-10)21-11(2)16(19)20/h3-8,11H,1-2H3,(H,19,20)/p-1/t11-/m0/s1