ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)-sulfanyl-methyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)-sulfanyl-methyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)-sulfanyl-methyl]-4-(3-pyridyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridinyl)-mercaptomethyl]-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)-sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)-mercapto-methyl]-4-(3-pyridyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C27H21N5O3S MolecularWeight: 495.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)C(C3=C(C=CC(=N3)C4=CC=CC=C4)C#N)S

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)C(C3=C(C=CC(=N3)C4=CC=CC=C4)C#N)S

InChI

InChI=1S/C27H21N5O3S/c1-2-34-27(33)22-21(18-9-6-12-31-15-18)19(14-29)26(30)35-24(22)25(36)23-17(13-28)10-11-20(32-23)16-7-4-3-5-8-16/h3-12,15,21,25,36H,2,30H2,1H3