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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C32H30N4O4S MolecularWeight: 566.67

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)CSC4=NC(=C(C(=C4C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)CSC4=NC(=C(C(=C4C#N)C)C)C

InChI

InChI=1S/C32H30N4O4S/c1-5-38-32(37)29-27(18-41-31-25(15-33)20(3)19(2)21(4)36-31)40-30(35)26(16-34)28(29)23-12-9-13-24(14-23)39-17-22-10-7-6-8-11-22/h6-14,28H,5,17-18,35H2,1-4H3