[5-[6-[[2-azanyl-2-(3-chloranyl-4-oxidanyl-phenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-1,2,3,4-tetrazol-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-[6-[[2-azanyl-2-(3-chloranyl-4-oxidanyl-phenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-1,2,3,4-tetrazol-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [5-[6-[[2-amino-2-(3-chloro-4-hydroxy-phenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-[6-[[2-amino-2-(3-chloro-4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-2-tetrazolyl]methyl ester IUPAC Name: [5-[6-[[2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-[6-[[2-amino-2-(3-chloro-4-hydroxy-phenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazol-2-yl]methyl ester Formula: C22H28ClN7O5S MolecularWeight: 538.01962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC(=C(C=C3)O)Cl)N)C4=NN(N=N4)COC(=O)C(C)(C)C)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC(=C(C=C3)O)Cl)N)C4=NN(N=N4)COC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H28ClN7O5S/c1-21(2,3)20(34)35-9-29-27-16(26-28-29)15-22(4,5)36-19-14(18(33)30(15)19)25-17(32)13(24)10-6-7-12(31)11(23)8-10/h6-8,13-15,19,31H,9,24H2,1-5H3,(H,25,32)