ethyl (4S)-6-azanyl-4-[5-[(4-bromophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-[5-[(4-bromophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-[5-[(4-bromophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[5-[[(4-bromophenyl)thio]methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-[5-[(4-bromophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[5-[[(4-bromophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2C)C)CSC3=CC=C(C=C3)Br)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC(=C(C=C2C)C)CSC3=CC=C(C=C3)Br)C#N)N)C

InChI

InChI=1S/C25H25BrN2O3S/c1-5-30-25(29)22-16(4)31-24(28)21(12-27)23(22)20-11-17(14(2)10-15(20)3)13-32-19-8-6-18(26)7-9-19/h6-11,23H,5,13,28H2,1-4H3/t23-/m0/s1