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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-methyl-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-methylquinoxalin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-methylquinoxalin-2-yl)thio]methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H28N4O6S MolecularWeight: 548.61012

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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=C3C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)N)CSC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C28H28N4O6S/c1-6-37-28(33)24-22(14-39-27-15(2)31-18-9-7-8-10-19(18)32-27)38-26(30)17(13-29)23(24)16-11-20(34-3)25(36-5)21(12-16)35-4/h7-12,23H,6,14,30H2,1-5H3