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

Systemtic Name: 6-ethanoyl-6-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-6-[(4-hydroxy-3-methoxy-benzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-acetyl-6-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-acetyl-6-[(4-hydroxy-3-methoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-7-keto-3,3-dimethyl-6-(vanilloylamino)-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=CC(=C(C=C3)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-8(21)18(19-13(23)9-5-6-10(22)11(7-9)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)