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

Systemtic Name: ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-2-(chloromethyl)-5-cyano-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-(chloromethyl)-5-cyano-4-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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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)CCl

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O4S/c1-3-30-23(28)21-18(11-24)31-22(26)16(12-25)20(21)14-7-8-17(29-2)15(10-14)13-32-19-6-4-5-9-27-19/h4-10,20H,3,11,13,26H2,1-2H3