3-[[2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-tris(oxidanylidene)-4-(phenylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]sulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione

Systemtic Name: 3-[[2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-tris(oxidanylidene)-4-(phenylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]sulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione Openeye Name: 3-[[4-benzyl-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]sulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione CAS Name: 3-[[2-(2,2-dimethyl-1-oxopropyl)-7-methoxy-3-methyl-5,5,8-trioxo-4-(phenylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]thio]-2-methyl-1H-1,2,4-triazine-5,6-dione IUPAC Name: 3-[[4-benzyl-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]sulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione Traditional Name: 3-[(4-benzyl-5,5,8-triketo-7-methoxy-3-methyl-2-pivaloyl-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl)thio]-2-methyl-1H-1,2,4-triazine-5,6-quinone Formula: C24H28N4O7S2 MolecularWeight: 548.63172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1(CC3=CC=CC=C3)SC4=NC(=O)C(=O)NN4C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1(CC3=CC=CC=C3)SC4=NC(=O)C(=O)NN4C)C(=O)C(C)(C)C

InChI

InChI=1S/C24H28N4O7S2/c1-13-15(17(29)23(2,3)4)28-20(32)16(35-6)21(28)37(33,34)24(13,12-14-10-8-7-9-11-14)36-22-25-18(30)19(31)26-27(22)5/h7-11,16,21H,12H2,1-6H3,(H,26,31)