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

Systemtic Name: (6R,7R)-7-[(4-chloranyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[(4-chloro-6-phenoxy-s-triazin-2-yl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H14ClN5O4S MolecularWeight: 419.84216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC(=NC(=N3)Cl)OC4=CC=CC=C4)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC3=NC(=NC(=N3)Cl)OC4=CC=CC=C4)SC1)C(=O)O

InChI

InChI=1S/C17H14ClN5O4S/c1-8-7-28-13-10(12(24)23(13)11(8)14(25)26)19-16-20-15(18)21-17(22-16)27-9-5-3-2-4-6-9/h2-6,10,13H,7H2,1H3,(H,25,26)(H,19,20,21,22)/t10-,13-/m1/s1