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

Systemtic Name: 6-[(2-azanyl-2-phenyl-ethanoyl)amino]-6-methoxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-amino-2-phenyl-acetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(2-amino-1-oxo-2-phenylethyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-amino-2-phenylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(2-amino-2-phenyl-acetyl)amino]-7-keto-6-methoxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-16(2)11(13(22)23)20-14(24)17(25-3,15(20)26-16)19-12(21)10(18)9-7-5-4-6-8-9/h4-8,10-11,15H,18H2,1-3H3,(H,19,21)(H,22,23)