(2R)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetate IUPAC Name: (2R)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetate Traditional Name: (2R)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenyl-acetate Formula: C18H15N2O2S- MolecularWeight: 323.3889

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SC(C3=CC=CC=C3)C(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)S[C@H](C3=CC=CC=C3)C(=O)[O-])C#N

InChI

InChI=1S/C18H16N2O2S/c19-11-14-10-13-8-4-5-9-15(13)20-17(14)23-16(18(21)22)12-6-2-1-3-7-12/h1-3,6-7,10,16H,4-5,8-9H2,(H,21,22)/p-1/t16-/m1/s1