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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-phenylquinoxalin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-phenylquinoxalin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-phenyl-2-quinoxalinyl)thio]methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-phenylquinoxalin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-phenylquinoxalin-2-yl)thio]methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C33H30N4O6S MolecularWeight: 610.6795

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)N)CSC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)N)CSC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C33H30N4O6S/c1-5-42-33(38)28-26(18-44-32-29(19-11-7-6-8-12-19)36-22-13-9-10-14-23(22)37-32)43-31(35)21(17-34)27(28)20-15-24(39-2)30(41-4)25(16-20)40-3/h6-16,27H,5,18,35H2,1-4H3