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

Systemtic Name: 6-[(2-azanyl-2-thiophen-3-yl-ethanoyl)amino]-6-cyano-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-amino-2-(3-thienyl)acetyl]amino]-6-cyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-amino-1-oxo-2-(3-thiophenyl)ethyl]amino]-6-cyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-amino-2-thiophen-3-ylacetyl)amino]-6-cyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-amino-2-(3-thienyl)acetyl]amino]-6-cyano-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C15H16N4O4S2 MolecularWeight: 380.44194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)C(C3=CSC=C3)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)C(C3=CSC=C3)N)C(=O)O)C

InChI

InChI=1S/C15H16N4O4S2/c1-14(2)9(11(21)22)19-12(23)15(6-16,13(19)25-14)18-10(20)8(17)7-3-4-24-5-7/h3-5,8-9,13H,17H2,1-2H3,(H,18,20)(H,21,22)