2,2,2-tris(chloranyl)ethyl (6S)-3-azido-3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (6S)-3-azido-3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: 2,2,2-trichloroethyl (6S)-3-azido-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S)-3-azido-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (6S)-3-azido-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S)-3-azido-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C18H18Cl3N5O4S MolecularWeight: 506.79062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)NC(=O)CC3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC1(CS[C@H]2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)NC(=O)CC3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C18H18Cl3N5O4S/c1-17(24-25-22)9-31-15-12(23-11(27)7-10-5-3-2-4-6-10)14(28)26(15)13(17)16(29)30-8-18(19,20)21/h2-6,12-13,15H,7-9H2,1H3,(H,23,27)/t12?,13?,15-,17?/m0/s1