2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-[(4-nitrophenyl)methyl]-5,5-bis(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Systemtic Name: 2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-[(4-nitrophenyl)methyl]-5,5-bis(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Openeye Name: 2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-4-[(4-nitrophenyl)methyl]-5,5-dioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-8-one CAS Name: 2-(2,2-dimethyl-1-oxopropyl)-7-methoxy-3-methyl-4-[(1-methyl-5-tetrazolyl)thio]-4-[(4-nitrophenyl)methyl]-5,5-dioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-8-one IUPAC Name: 2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-4-[(4-nitrophenyl)methyl]-5,5-dioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Traditional Name: 5,5-diketo-7-methoxy-3-methyl-4-[(1-methyltetrazol-5-yl)thio]-4-(4-nitrobenzyl)-2-pivaloyl-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Formula: C22H26N6O7S2 MolecularWeight: 550.60784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1(CC3=CC=C(C=C3)[N+](=O)[O-])SC4=NN=NN4C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1(CC3=CC=C(C=C3)[N+](=O)[O-])SC4=NN=NN4C)C(=O)C(C)(C)C

InChI

InChI=1S/C22H26N6O7S2/c1-12-15(17(29)21(2,3)4)27-18(30)16(35-6)19(27)37(33,34)22(12,36-20-23-24-25-26(20)5)11-13-7-9-14(10-8-13)28(31)32/h7-10,16,19H,11H2,1-6H3