methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C34H36N4O3S MolecularWeight: 580.73964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C=CC(=N3)C45CC6CC(C4)CC(C6)C5)C#N)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C=CC(=N3)C45CC6CC(C4)CC(C6)C5)C#N)N)C#N

InChI

InChI=1S/C34H36N4O3S/c1-19(2)23-4-6-24(7-5-23)29-26(17-36)31(37)41-27(30(29)33(39)40-3)18-42-32-25(16-35)8-9-28(38-32)34-13-20-10-21(14-34)12-22(11-20)15-34/h4-9,19-22,29H,10-15,18,37H2,1-3H3