6-ethanoyl-6-[(2-methoxy-6-oxidanyl-phenyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-ethanoyl-6-[(2-methoxy-6-oxidanyl-phenyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-6-[(2-hydroxy-6-methoxy-benzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-acetyl-6-[[(2-hydroxy-6-methoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-acetyl-6-[(2-hydroxy-6-methoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-6-[(2-hydroxy-6-methoxy-benzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=C(C=CC=C3OC)O

Isomeric SMILES

CC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=C(C=CC=C3OC)O

InChI

InChI=1S/C18H20N2O7S/c1-8(21)18(19-13(23)11-9(22)6-5-7-10(11)27-4)15(26)20-12(14(24)25)17(2,3)28-16(18)20/h5-7,12,16,22H,1-4H3,(H,19,23)(H,24,25)