ethyl 6-azanyl-4-[5-bromanyl-2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-[5-bromanyl-2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[5-bromo-2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[5-bromo-2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[5-bromo-2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[5-bromo-2-[2-(3-chloro-4-methyl-anilino)-2-keto-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H23BrClN3O5 MolecularWeight: 560.82422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC(=O)NC3=CC(=C(C=C3)C)Cl)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC(=O)NC3=CC(=C(C=C3)C)Cl)C#N)N)C

InChI

InChI=1S/C25H23BrClN3O5/c1-4-33-25(32)22-14(3)35-24(29)18(11-28)23(22)17-9-15(26)6-8-20(17)34-12-21(31)30-16-7-5-13(2)19(27)10-16/h5-10,23H,4,12,29H2,1-3H3,(H,30,31)