ethyl (4S)-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-4-[4-(methylthio)phenyl]-6-(1-pyrrolyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-4-[4-(methylthio)phenyl]-6-pyrrol-1-yl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N3C=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=C(C=C2)SC)C#N)N3C=CC=C3)C

InChI

InChI=1S/C21H20N2O3S/c1-4-25-21(24)18-14(2)26-20(23-11-5-6-12-23)17(13-22)19(18)15-7-9-16(27-3)10-8-15/h5-12,19H,4H2,1-3H3/t19-/m0/s1