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

Systemtic Name: 3,3-dimethyl-6-[(2-nitroso-2-phenoxy-ethanoyl)amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-[(2-nitroso-2-phenoxy-acetyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[(2-nitroso-1-oxo-2-phenoxyethyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[(2-nitroso-2-phenoxyacetyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[(2-nitroso-2-phenoxy-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(N=O)OC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(N=O)OC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C16H17N3O6S/c1-16(2)10(15(22)23)19-13(21)9(14(19)26-16)17-11(20)12(18-24)25-8-6-4-3-5-7-8/h3-7,9-10,12,14H,1-2H3,(H,17,20)(H,22,23)