ethyl (4S)-6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(2-thienyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-thiophen-2-yl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-(2-thienyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=CS2)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C22H20N4O3S2/c1-4-28-22(27)19-16(11-31-21-14(9-23)12(2)8-13(3)26-21)29-20(25)15(10-24)18(19)17-6-5-7-30-17/h5-8,18H,4,11,25H2,1-3H3/t18-/m1/s1