2-methylpropyl (2S)-2-ethyl-7-fluoranyl-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate

Systemtic Name: 2-methylpropyl (2S)-2-ethyl-7-fluoranyl-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate Openeye Name: isobutyl (2S)-2-ethyl-7-fluoro-3-thioxo-2,4-dihydroquinoxaline-1-carboxylate CAS Name: (2S)-2-ethyl-7-fluoro-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2S)-2-ethyl-7-fluoro-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate Traditional Name: (2S)-2-ethyl-7-fluoro-3-thioxo-2,4-dihydroquinoxaline-1-carboxylic acid isobutyl ester Formula: C15H19FN2O2S MolecularWeight: 310.386963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=S)NC2=C(N1C(=O)OCC(C)C)C=C(C=C2)F

Isomeric SMILES

CC[C@H]1C(=S)NC2=C(N1C(=O)OCC(C)C)C=C(C=C2)F

InChI

InChI=1S/C15H19FN2O2S/c1-4-12-14(21)17-11-6-5-10(16)7-13(11)18(12)15(19)20-8-9(2)3/h5-7,9,12H,4,8H2,1-3H3,(H,17,21)/t12-/m0/s1