3,3-dimethyl-7-oxidanylidene-6-[(phenethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[(phenethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-[(phenethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-[(phenethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-[(phenethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[(phenethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)CNCCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)CNCCC3=CC=CC=C3)C(=O)O)C

InChI

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