3,3-dimethyl-6-[2-[methyl-(phenylmethyl)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-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[2-[benzyl(methyl)amino]-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[1-hydroxy-2-[methyl-(phenylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[2-[benzyl(methyl)amino]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[2-[benzyl(methyl)amino]-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(C(N2C(S1)C(C2=O)C(C(=O)N(C)CC3=CC=CC=C3)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(C)CC3=CC=CC=C3)O)C(=O)O)C

InChI

InChI=1S/C18H22N2O5S/c1-18(2)13(17(24)25)20-14(22)11(16(20)26-18)12(21)15(23)19(3)9-10-7-5-4-6-8-10/h4-8,11-13,16,21H,9H2,1-3H3,(H,24,25)