3-phenylpropyl (2S,5R,6R)-6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 3-phenylpropyl (2S,5R,6R)-6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 3-phenylpropyl (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6R)-6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 3-phenylpropyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N)C(=O)OCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)OCCCC3=CC=CC=C3)C

InChI

InChI=1S/C17H22N2O3S/c1-17(2)13(19-14(20)12(18)15(19)23-17)16(21)22-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,6,9-10,18H2,1-2H3/t12-,13+,15-/m1/s1