6-[(3-carboxyphenyl)-ethanoyl-amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[(3-carboxyphenyl)-ethanoyl-amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-(N-acetyl-3-carboxy-anilino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-(N-acetyl-3-carboxyanilino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-(N-acetyl-3-carboxyanilino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-(N-acetyl-3-carboxy-anilino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C2N(C1=O)C(C(S2)(C)C)C(=O)O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)N(C1C2N(C1=O)C(C(S2)(C)C)C(=O)O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H18N2O6S/c1-8(20)18(10-6-4-5-9(7-10)15(22)23)11-13(21)19-12(16(24)25)17(2,3)26-14(11)19/h4-7,11-12,14H,1-3H3,(H,22,23)(H,24,25)