ethyl 6-azanyl-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[[(4-phenyl-2-quinazolinyl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[[(4-phenylquinazolin-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C32H28N4O5S MolecularWeight: 580.65352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)OC)OC)C#N)N)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)OC)OC)C#N)N)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C32H28N4O5S/c1-4-40-31(37)27-25(41-30(34)22(17-33)26(27)21-14-10-16-24(38-2)29(21)39-3)18-42-32-35-23-15-9-8-13-20(23)28(36-32)19-11-6-5-7-12-19/h5-16,26H,4,18,34H2,1-3H3