(6S)-7-[[2,2-bis(fluoranyl)-2-methylsulfanyl-ethanoyl]-fluoranyl-amino]-3-[4-(butylamino)-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-7-[[2,2-bis(fluoranyl)-2-methylsulfanyl-ethanoyl]-fluoranyl-amino]-3-[4-(butylamino)-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-3-[4-(butylamino)-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2,2-difluoro-2-methylsulfanyl-acetyl)-fluoro-amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-3-[4-(butylamino)-4-oxo-1-(2H-tetrazol-5-ylthio)butyl]-7-[[2,2-difluoro-2-(methylthio)-1-oxoethyl]-fluoroamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-3-[4-(butylamino)-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2,2-difluoro-2-methylsulfanylacetyl)-fluoroamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-3-[4-(butylamino)-4-keto-1-(2H-tetrazol-5-ylthio)butyl]-7-[[2,2-difluoro-2-(methylthio)acetyl]-fluoro-amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H24F3N7O5S3 MolecularWeight: 583.62797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC(C1=C(N2C(C(C2=O)N(C(=O)C(F)(F)SC)F)SC1)C(=O)O)SC3=NNN=N3

Isomeric SMILES

CCCCNC(=O)CCC(C1=C(N2[C@H](C(C2=O)N(C(=O)C(F)(F)SC)F)SC1)C(=O)O)SC3=NNN=N3

InChI

InChI=1S/C19H24F3N7O5S3/c1-3-4-7-23-11(30)6-5-10(37-18-24-26-27-25-18)9-8-36-15-13(14(31)28(15)12(9)16(32)33)29(22)17(34)19(20,21)35-2/h10,13,15H,3-8H2,1-2H3,(H,23,30)(H,32,33)(H,24,25,26,27)/t10?,13?,15-/m0/s1