3,3-dimethyl-6-[2-[methyl-(4-methylphenyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[2-[methyl-(4-methylphenyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[2-(N,4-dimethylanilino)-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[2-(N,4-dimethylanilino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[2-(N,4-dimethylanilino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[2-(N,4-dimethylanilino)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)O)O

InChI

InChI=1S/C18H22N2O5S/c1-9-5-7-10(8-6-9)19(4)15(23)12(21)11-14(22)20-13(17(24)25)18(2,3)26-16(11)20/h5-8,11-13,16,21H,1-4H3,(H,24,25)