6-azanyl-3,3-dimethyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-6-carboxylic acid

Systemtic Name: 6-azanyl-3,3-dimethyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-6-carboxylic acid Openeye Name: 6-amino-3,3-dimethyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-6-carboxylic acid CAS Name: 6-amino-3,3-dimethyl-2-[(4-nitrophenyl)methoxy-oxomethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-6-carboxylic acid IUPAC Name: 6-amino-3,3-dimethyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-6-carboxylic acid Traditional Name: 6-amino-7-keto-3,3-dimethyl-2-(4-nitrobenzyl)oxycarbonyl-4-thia-1-azabicyclo[3.2.0]heptane-6-carboxylic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(=O)O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(=O)O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O7S/c1-15(2)10(18-12(21)16(17,14(22)23)13(18)27-15)11(20)26-7-8-3-5-9(6-4-8)19(24)25/h3-6,10,13H,7,17H2,1-2H3,(H,22,23)