ethyl 2-[[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylmethyl]-6-azanyl-5-cyano-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 2-[[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylmethyl]-6-azanyl-5-cyano-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanylmethyl]-6-amino-5-cyano-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 2-[[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]methyl]-6-amino-5-cyano-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylmethyl]-6-amino-5-cyano-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 2-[[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]methyl]-6-amino-5-cyano-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C35H38N4O3S MolecularWeight: 594.76622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C=CC(=N3)C45CC6CC(C4)CC(C6)C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C=CC(=N3)C45CC6CC(C4)CC(C6)C5)C#N

InChI

InChI=1S/C35H38N4O3S/c1-4-41-34(40)31-28(42-32(38)27(18-37)30(31)25-7-5-24(6-8-25)20(2)3)19-43-33-26(17-36)9-10-29(39-33)35-14-21-11-22(15-35)13-23(12-21)16-35/h5-10,20-23,30H,4,11-16,19,38H2,1-3H3