propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate

Systemtic Name: propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: isopropyl 6-amino-4-(3-benzyloxyphenyl)-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-benzoxyphenyl)-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-4H-pyran-3-carboxylic acid isopropyl ester Formula: C33H32N4O4S MolecularWeight: 580.69658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)C)C

InChI

InChI=1S/C33H32N4O4S/c1-19(2)40-33(38)30-28(18-42-32-26(15-34)21(4)20(3)22(5)37-32)41-31(36)27(16-35)29(30)24-12-9-13-25(14-24)39-17-23-10-7-6-8-11-23/h6-14,19,29H,17-18,36H2,1-5H3