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

Systemtic Name: 6-[(2-acetamidophenyl)carbonylamino]-6-ethanoyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-acetamidobenzoyl)amino]-6-acetyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[(2-acetamidophenyl)-oxomethyl]amino]-6-acetyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-acetamidobenzoyl)amino]-6-acetyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(2-acetamidobenzoyl)amino]-6-acetyl-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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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=CC=C3NC(=O)C

Isomeric SMILES

CC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=CC=CC=C3NC(=O)C

InChI

InChI=1S/C19H21N3O6S/c1-9(23)19(16(28)22-13(15(26)27)18(3,4)29-17(19)22)21-14(25)11-7-5-6-8-12(11)20-10(2)24/h5-8,13,17H,1-4H3,(H,20,24)(H,21,25)(H,26,27)