(6R,7R)-3-(acetyloxymethyl)-7-[2-(3-chlorophenyl)sulfanylethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[2-(3-chlorophenyl)sulfanylethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-(3-chlorophenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-[(3-chlorophenyl)thio]-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-(3-chlorophenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-[(3-chlorophenyl)thio]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H17ClN2O6S2 MolecularWeight: 456.92038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC(=CC=C3)Cl)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC(=CC=C3)Cl)SC1)C(=O)O

InChI

InChI=1S/C18H17ClN2O6S2/c1-9(22)27-6-10-7-29-17-14(16(24)21(17)15(10)18(25)26)20-13(23)8-28-12-4-2-3-11(19)5-12/h2-5,14,17H,6-8H2,1H3,(H,20,23)(H,25,26)/t14-,17-/m1/s1