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

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(2-fluorophenyl)-2-[(3-phenylquinoxalin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(3-phenylquinoxalin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(2-fluorophenyl)-2-[[(3-phenyl-2-quinoxalinyl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(3-phenylquinoxalin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(2-fluorophenyl)-2-[[(3-phenylquinoxalin-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C30H23FN4O3S MolecularWeight: 538.592023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C30H23FN4O3S/c1-2-37-30(36)26-24(38-28(33)20(16-32)25(26)19-12-6-7-13-21(19)31)17-39-29-27(18-10-4-3-5-11-18)34-22-14-8-9-15-23(22)35-29/h3-15,25H,2,17,33H2,1H3