8a-[(4-fluorophenyl)methyl]-6-methylsulfanyl-8-oxidanylidene-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid

Systemtic Name: 8a-[(4-fluorophenyl)methyl]-6-methylsulfanyl-8-oxidanylidene-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid Openeye Name: 8a-[(4-fluorophenyl)methyl]-6-methylsulfanyl-8-oxo-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid CAS Name: 8a-[(4-fluorophenyl)methyl]-6-(methylthio)-8-oxo-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid IUPAC Name: 8a-[(4-fluorophenyl)methyl]-6-methylsulfanyl-8-oxo-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid Traditional Name: 8a-(4-fluorobenzyl)-8-keto-6-(methylthio)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid Formula: C16H17FN2O3S MolecularWeight: 336.381183

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=O)C2(N1CCN(C2)C(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC(=O)C2(N1CCN(C2)C(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN2O3S/c1-23-14-8-13(20)16(9-11-2-4-12(17)5-3-11)10-18(15(21)22)6-7-19(14)16/h2-5,8H,6-7,9-10H2,1H3,(H,21,22)