7-[2-(2-aminophenyl)ethanoylamino]-8-oxidanylidene-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-(2-aminophenyl)ethanoylamino]-8-oxidanylidene-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-aminophenyl)-1-oxoethyl]amino]-8-oxo-3-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-keto-3-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H16F3N5O4S3 MolecularWeight: 531.55165

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O)CSC4=NN=C(S4)C(F)(F)F

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O)CSC4=NN=C(S4)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O4S3/c20-19(21,22)17-25-26-18(34-17)33-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)24-11(28)5-8-3-1-2-4-10(8)23/h1-4,12,15H,5-7,23H2,(H,24,28)(H,30,31)