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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)-sulfanyl-methyl]-4-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)-sulfanyl-methyl]-4-phenyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridinyl)-mercaptomethyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)-sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)-mercapto-methyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H22N4O3S/c1-2-34-28(33)23-22(18-11-7-4-8-12-18)20(16-30)27(31)35-25(23)26(36)24-19(15-29)13-14-21(32-24)17-9-5-3-6-10-17/h3-14,22,26,36H,2,31H2,1H3