(6R,7R)-7-[[2-[(4-chloranyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-phenyl-ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[2-[(4-chloranyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-phenyl-ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[2-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-phenyl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[2-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-1-oxo-2-phenylethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[2-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[2-[(4-chloro-6-phenoxy-s-triazin-2-yl)amino]-2-phenyl-acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H21ClN6O5S MolecularWeight: 552.98944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC4=NC(=NC(=N4)Cl)OC5=CC=CC=C5)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC4=NC(=NC(=N4)Cl)OC5=CC=CC=C5)SC1)C(=O)O

InChI

InChI=1S/C25H21ClN6O5S/c1-13-12-38-21-17(20(34)32(21)18(13)22(35)36)27-19(33)16(14-8-4-2-5-9-14)28-24-29-23(26)30-25(31-24)37-15-10-6-3-7-11-15/h2-11,16-17,21H,12H2,1H3,(H,27,33)(H,35,36)(H,28,29,30,31)/t16?,17-,21-/m1/s1