6-ethanoyl-3,3-dimethyl-7-oxidanylidene-6-[(4-prop-2-enoxyphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-ethanoyl-3,3-dimethyl-7-oxidanylidene-6-[(4-prop-2-enoxyphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-6-[(4-allyloxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-acetyl-3,3-dimethyl-7-oxo-6-[[oxo-(4-prop-2-enoxyphenyl)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-acetyl-3,3-dimethyl-7-oxo-6-[(4-prop-2-enoxybenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-6-[(4-allyloxybenzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C20H22N2O6S/c1-5-10-28-13-8-6-12(7-9-13)15(24)21-20(11(2)23)17(27)22-14(16(25)26)19(3,4)29-18(20)22/h5-9,14,18H,1,10H2,2-4H3,(H,21,24)(H,25,26)