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

Systemtic Name: methyl 6-azanyl-5-cyano-2-[[3-cyano-6-(4-methoxyphenyl)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-methoxyphenyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[[3-cyano-6-(4-methoxyphenyl)-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-(4-methoxyphenyl)pyridin-2-yl]sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid methyl ester Formula: C31H28N4O4S MolecularWeight: 552.64342

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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=C(C=C4)OC)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=C(C=C4)OC)C#N)N)C#N

InChI

InChI=1S/C31H28N4O4S/c1-18(2)19-5-7-21(8-6-19)27-24(16-33)29(34)39-26(28(27)31(36)38-4)17-40-30-22(15-32)11-14-25(35-30)20-9-12-23(37-3)13-10-20/h5-14,18,27H,17,34H2,1-4H3