methyl 6-benzamido-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate

Systemtic Name: methyl 6-benzamido-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate Openeye Name: methyl 6-benzamido-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate CAS Name: 6-benzamido-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid methyl ester IUPAC Name: methyl 6-benzamido-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate Traditional Name: 6-benzamido-7-keto-3,3-dimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid methyl ester Formula: C16H19N2O4S+ MolecularWeight: 335.39806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+]2(C(S1)C(C2=O)NC(=O)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1(C[N+]2(C(S1)C(C2=O)NC(=O)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C16H18N2O4S/c1-16(2)9-18(15(21)22-3)13(20)11(14(18)23-16)17-12(19)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/p+1