(6R,7R)-3-(acetyloxymethyl)-7-[2-[(7-chloranylquinolin-4-yl)amino]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[2-[(7-chloranylquinolin-4-yl)amino]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-[(7-chloro-4-quinolyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-[(7-chloro-4-quinolinyl)amino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-[(7-chloroquinolin-4-yl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-[(7-chloro-4-quinolyl)amino]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H19ClN4O6S MolecularWeight: 490.91676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CNC3=C4C=CC(=CC4=NC=C3)Cl)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CNC3=C4C=CC(=CC4=NC=C3)Cl)SC1)C(=O)O

InChI

InChI=1S/C21H19ClN4O6S/c1-10(27)32-8-11-9-33-20-17(19(29)26(20)18(11)21(30)31)25-16(28)7-24-14-4-5-23-15-6-12(22)2-3-13(14)15/h2-6,17,20H,7-9H2,1H3,(H,23,24)(H,25,28)(H,30,31)/t17-,20-/m1/s1