3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid Formula: C16H17N2O5S+ MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+]2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(=[N+]2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C16H16N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11,14H,8H2,1-2H3,(H-,17,19,21,22)/p+1