6-[(2-azanyl-2-phenyl-ethanoyl)amino]-1,3,3-trimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 6-[(2-azanyl-2-phenyl-ethanoyl)amino]-1,3,3-trimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-[(2-amino-2-phenyl-acetyl)amino]-1,3,3-trimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[(2-amino-1-oxo-2-phenylethyl)amino]-1,3,3-trimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 6-[(2-amino-2-phenylacetyl)amino]-1,3,3-trimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[(2-amino-2-phenyl-acetyl)amino]-7-keto-1,3,3-trimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+]2(C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C)C(=O)[O-])C

Isomeric SMILES

CC1(C([N+]2(C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C)C(=O)[O-])C

InChI

InChI=1S/C17H21N3O4S/c1-17(2)12(16(23)24)20(3)14(22)11(15(20)25-17)19-13(21)10(18)9-7-5-4-6-8-9/h4-8,10-12,15H,18H2,1-3H3,(H-,19,21,23,24)