6-[(2-azaniumyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 6-[(2-azaniumyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-[(2-azaniumyl-2-phenyl-acetyl)amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[(2-ammonio-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 6-[(2-azaniumyl-2-phenylacetyl)amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[(2-ammonio-2-phenyl-acetyl)amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2CC(C2S1)NC(=O)C(C3=CC=CC=C3)[NH3+])C(=O)[O-])C

Isomeric SMILES

CC1(C(N2CC(C2S1)NC(=O)C(C3=CC=CC=C3)[NH3+])C(=O)[O-])C

InChI

InChI=1S/C16H21N3O3S/c1-16(2)12(15(21)22)19-8-10(14(19)23-16)18-13(20)11(17)9-6-4-3-5-7-9/h3-7,10-12,14H,8,17H2,1-2H3,(H,18,20)(H,21,22)