ethyl 6-azanyl-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-phenyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-2-phenyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-phenyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O4S/c1-3-34-28(32)25-24(21(16-29)27(30)35-26(25)18-9-5-4-6-10-18)19-12-13-22(33-2)20(15-19)17-36-23-11-7-8-14-31-23/h4-15,24H,3,17,30H2,1-2H3