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

Systemtic Name: methyl 6-azanyl-5-cyano-2-[(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]methyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid methyl ester Formula: C29H25N5O3S MolecularWeight: 523.6055

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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)C4=CC=NC=C4)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)C4=CC=NC=C4)C#N)N)C#N

InChI

InChI=1S/C29H25N5O3S/c1-17(2)18-4-6-20(7-5-18)25-22(15-31)27(32)37-24(26(25)29(35)36-3)16-38-28-21(14-30)8-9-23(34-28)19-10-12-33-13-11-19/h4-13,17,25H,16,32H2,1-3H3