(4R)-5-cyano-N-(4-fluorophenyl)-2-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxamide

Systemtic Name: (4R)-5-cyano-N-(4-fluorophenyl)-2-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxamide Openeye Name: (4R)-6-(2-anilino-2-oxo-ethyl)sulfanyl-5-cyano-N-(4-fluorophenyl)-2-methyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxamide CAS Name: (4R)-6-[(2-anilino-2-oxoethyl)thio]-5-cyano-N-(4-fluorophenyl)-2-methyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxamide IUPAC Name: (4R)-6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-N-(4-fluorophenyl)-2-methyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxamide Traditional Name: (4R)-6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-N-(4-fluorophenyl)-2-methyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxamide Formula: C26H21FN4O2S2 MolecularWeight: 504.598943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(S1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CN3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C([C@H](C(=C(S1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CN3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN4O2S2/c1-16-23(25(33)31-19-11-9-17(27)10-12-19)24(21-8-5-13-29-21)20(14-28)26(35-16)34-15-22(32)30-18-6-3-2-4-7-18/h2-13,24,29H,15H2,1H3,(H,30,32)(H,31,33)/t24-/m1/s1