6-ethanoyl-3,3-dimethyl-7-oxidanylidene-6-[(4-prop-2-enylphenyl)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-enylphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-6-[(4-allylbenzoyl)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-enylphenyl)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-enylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-6-[(4-allylbenzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-5-6-12-7-9-13(10-8-12)15(24)21-20(11(2)23)17(27)22-14(16(25)26)19(3,4)28-18(20)22/h5,7-10,14,18H,1,6H2,2-4H3,(H,21,24)(H,25,26)