[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H13FN2O4S MolecularWeight: 372.370223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C

InChI

InChI=1S/C18H13FN2O4S/c1-9-8-26-17(21-9)12(6-20)14(22)7-24-18(23)15-10(2)11-4-3-5-13(19)16(11)25-15/h3-5,8,12H,7H2,1-2H3/t12-/m0/s1