(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2,3,4,7-tetrahydroazepin-1-ylmethylideneamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2,3,4,7-tetrahydroazepin-1-ylmethylideneamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2,3,4,7-tetrahydroazepin-1-ylmethyleneamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2,3,4,7-tetrahydroazepin-1-ylmethylideneamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2,3,4,7-tetrahydroazepin-1-ylmethylideneamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-7-keto-3,3-dimethyl-6-(2,3,4,7-tetrahydroazepin-1-ylmethyleneamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N=CN3CCCC=CC3)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCC=CC3)C(=O)O)C

InChI

InChI=1S/C15H21N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h3,5,9-11,13H,4,6-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1