[(6R,7S)-2-butylsulfanylcarbonyl-7-chloranyl-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ethanoate

Systemtic Name: [(6R,7S)-2-butylsulfanylcarbonyl-7-chloranyl-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ethanoate Openeye Name: [(6R,7S)-2-butylsulfanylcarbonyl-7-chloro-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate CAS Name: acetic acid [(6R,7S)-2-[(butylthio)-oxomethyl]-7-chloro-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester IUPAC Name: [(6R,7S)-2-butylsulfanylcarbonyl-7-chloro-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate Traditional Name: acetic acid [(6R,7S)-2-(butylthio)carbonyl-7-chloro-5,5,8-triketo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester Formula: C14H18ClNO6S2 MolecularWeight: 395.87882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)C1=C(CS(=O)(=O)C2N1C(=O)C2Cl)COC(=O)C

Isomeric SMILES

CCCCSC(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)[C@@H]2Cl)COC(=O)C

InChI

InChI=1S/C14H18ClNO6S2/c1-3-4-5-23-14(19)11-9(6-22-8(2)17)7-24(20,21)13-10(15)12(18)16(11)13/h10,13H,3-7H2,1-2H3/t10-,13+/m0/s1