[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate CAS Name: 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate Traditional Name: 2-(piazthiol-4-ylsulfonylamino)propionic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C17H15FN4O5S2 MolecularWeight: 438.453203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1F)NS(=O)(=O)C2=CC=CC3=C2N=S=N3

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC=CC=C1F)NS(=O)(=O)C2=CC=CC3=C2N=S=N3

InChI

InChI=1S/C17H15FN4O5S2/c1-10(17(24)27-9-15(23)19-12-6-3-2-5-11(12)18)22-29(25,26)14-8-4-7-13-16(14)21-28-20-13/h2-8,10,22H,9H2,1H3,(H,19,23)