(6R,7R)-3-(acetyloxymethyl)-7-[2-[2,5-bis(chloranyl)phenyl]ethanethioylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[2-[2,5-bis(chloranyl)phenyl]ethanethioylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-(2,5-dichlorophenyl)ethanethioyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-(2,5-dichlorophenyl)-1-sulfanylideneethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-(2,5-dichlorophenyl)ethanethioyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-(2,5-dichlorophenyl)thioacetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H16Cl2N2O5S2 MolecularWeight: 475.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=S)CC3=C(C=CC(=C3)Cl)Cl)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=S)CC3=C(C=CC(=C3)Cl)Cl)SC1)C(=O)O

InChI

InChI=1S/C18H16Cl2N2O5S2/c1-8(23)27-6-10-7-29-17-14(16(24)22(17)15(10)18(25)26)21-13(28)5-9-4-11(19)2-3-12(9)20/h2-4,14,17H,5-7H2,1H3,(H,21,28)(H,25,26)/t14-,17-/m1/s1